Glycoside
...
GD001958

Name:
None

Formula:
C27H38O19N3P3

Smiles:
CCOP(=O)(Cc1ccccc1)N[C@@H]1CO[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CCOP(N)(=O)Cc1ccccc1.COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1OOCC(O)C1OC(C)=O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 6 FractionCSP3: 0.56
AlogP: 0.01 Num_rotatable_bonds: 16
MolWt: 801.53 Num_heavy_atoms: 52
TPSA: 307.0 NumAromaticRings: 2

Unique Aglycone
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
AD00305
Formula: CH6O7P2

Smiles:
COP(=O)(O)OP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.16 Num_rotatable_bonds: 3
MolWt: 192.0 Num_heavy_atoms: 10
TPSA: 113.29 NumAromaticRings: 0
AD01907
Formula: C9H14O2NP

Smiles:
CCOP(N)(=O)Cc1ccccc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 2.37 Num_rotatable_bonds: 4
MolWt: 199.19 Num_heavy_atoms: 13
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00478

CC(=O)OC1OOCC(O)C1OC(C)=O.OCC1OC(O)C(O)C1O