Glycoside
...
GD028348

Name:
None

Formula:
C30H34O6N3ClS

Smiles:
CCOC(=O)CNC(=S)NC[C@@H]1O[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CCOC(=O)CNC(=S)NC.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.45
AlogP: 2.77 Num_rotatable_bonds: 9
MolWt: 588.13 Num_heavy_atoms: 40
TPSA: 125.21 NumAromaticRings: 3

Unique Aglycone
AD00150
Formula: C19H16NCl

Smiles:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.22
AlogP: 5.29 Num_rotatable_bonds: 3
MolWt: 281.79 Num_heavy_atoms: 20
TPSA: 15.79 NumAromaticRings: 3
AD18537
Formula: C6H12O2N2S

Smiles:
CCOC(=O)CNC(=S)NC
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: -0.36 Num_rotatable_bonds: 3
MolWt: 176.24 Num_heavy_atoms: 11
TPSA: 50.36 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O