Glycoside
...
GD016516

Name:
None

Formula:
C27H31O10NS

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(C(=O)CSC)c(=O)oc3c2C)OC1(C)C

Aglycone:
CSCC(=O)c1c(O)c2ccc(O)c(C)c2oc1=O.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 3 FractionCSP3: 0.44
AlogP: 3.1 Num_rotatable_bonds: 8
MolWt: 561.61 Num_heavy_atoms: 39
TPSA: 157.52 NumAromaticRings: 3

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD11879
Formula: C13H12O5S

Smiles:
CSCC(=O)c1c(O)c2ccc(O)c(C)c2oc1=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 2.06 Num_rotatable_bonds: 3
MolWt: 280.3 Num_heavy_atoms: 19
TPSA: 87.74 NumAromaticRings: 2

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C