Glycoside
...
GD008002

Name:
None

Formula:
C25H26O12N2S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1NC(=S)NC(=O)C1=Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.4
AlogP: 0.06 Num_rotatable_bonds: 8
MolWt: 578.55 Num_heavy_atoms: 40
TPSA: 181.86 NumAromaticRings: 1

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
AD06447
Formula: C11H8O3N2S

Smiles:
O=C1NC(=S)NC(=O)C1=Cc1ccc(O)cc1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 0.31 Num_rotatable_bonds: 1
MolWt: 248.26 Num_heavy_atoms: 17
TPSA: 78.43 NumAromaticRings: 1

Sugarmoiety
SD00012

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