Glycoside
...
GD004973

Name:
None

Formula:
C25H31O9NS

Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)CC2

Aglycone:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NO)CC2

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.48
AlogP: 1.41 Num_rotatable_bonds: 7
MolWt: 521.59 Num_heavy_atoms: 36
TPSA: 135.94 NumAromaticRings: 2

Unique Aglycone
AD04268
Formula: C20H23O5NS

Smiles:
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NO)CC2
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.35
AlogP: 3.43 Num_rotatable_bonds: 5
MolWt: 389.47 Num_heavy_atoms: 27
TPSA: 77.02 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O