Glycoside
...
GD008608

Name:
None

Formula:
C36H48O23N6P4

Smiles:
O=c1[nH]c(=NOCCCc2ccccc2)ccn1[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=NOCCCc4ccccc4)[nH]c3=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.O=c1[nH]ccc(=NOCCCc2ccccc2)[nH]1.O=c1[nH]ccc(=NOCCCc2ccccc2)[nH]1

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

Other Identifiers

Properties
HBA: 29 RingCount: 6
HBD: 10 FractionCSP3: 0.44
AlogP: 0.02 Num_rotatable_bonds: 24
MolWt: 1056.7 Num_heavy_atoms: 69
TPSA: 413.49 NumAromaticRings: 4

Unique Aglycone
AD02144
Formula: C2H10O13P4

Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC
HBA: 13 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: 0.73 Num_rotatable_bonds: 8
MolWt: 365.99 Num_heavy_atoms: 19
TPSA: 195.35 NumAromaticRings: 0
AD02474
Formula: C13H15O2N3

Smiles:
O=c1[nH]ccc(=NOCCCc2ccccc2)[nH]1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 1.17 Num_rotatable_bonds: 5
MolWt: 245.28 Num_heavy_atoms: 18
TPSA: 70.24 NumAromaticRings: 2

Sugarmoiety
SD00025

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