Glycoside
...
GD099477

Name:
None

Formula:
C21H23O11NS

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccc3oc(=O)sc3c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1oc2ccc(O)cc2s1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 0.89 Num_rotatable_bonds: 7
MolWt: 497.48 Num_heavy_atoms: 34
TPSA: 156.67 NumAromaticRings: 2

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
AD32240
Formula: C7H4O3S

Smiles:
O=c1oc2ccc(O)cc2s1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 1.56 Num_rotatable_bonds: 0
MolWt: 168.17 Num_heavy_atoms: 11
TPSA: 50.44 NumAromaticRings: 2

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O