Glycoside
...
GD010671

Name:
None

Formula:
C156H193O106N36P11

Smiles:
N#CCCOCO[C@@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OCOCCC#N)[C@@H]1OP(=O)(O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OCOCCC#N)[C@@H]1O

Aglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.N#CCCOCO.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 142 RingCount: 24
HBD: 25 FractionCSP3: 0.62
AlogP: -10.49 Num_rotatable_bonds: 128
MolWt: 4609.12 Num_heavy_atoms: 309
TPSA: 1929.9 NumAromaticRings: 12

Unique Aglycone
AD00079
Formula: CH5O4P

Smiles:
COP(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.27 Num_rotatable_bonds: 1
MolWt: 112.02 Num_heavy_atoms: 6
TPSA: 66.76 NumAromaticRings: 0
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD08212
Formula: C4H7O2N

Smiles:
N#CCCOCO
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: -0.13 Num_rotatable_bonds: 3
MolWt: 101.1 Num_heavy_atoms: 7
TPSA: 53.25 NumAromaticRings: 0

Sugarmoiety
SD01578

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O