Glycoside
...
GD010404

Name:
None

Formula:
C24H26O9N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2n[nH]c(-c3cc4ccccc4[nH]3)n2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Sc1n[nH]c(-c2cc3ccccc3[nH]2)n1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 2 FractionCSP3: 0.42
AlogP: 2.13 Num_rotatable_bonds: 8
MolWt: 546.56 Num_heavy_atoms: 38
TPSA: 171.79 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD08037
Formula: C10H8N4S

Smiles:
Sc1n[nH]c(-c2cc3ccccc3[nH]2)n1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.24 Num_rotatable_bonds: 1
MolWt: 216.27 Num_heavy_atoms: 15
TPSA: 57.36 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O