Glycoside
...
GD035911

Name:
None

Formula:
C30H36O5N3ClS

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

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

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.48
AlogP: 3.24 Num_rotatable_bonds: 10
MolWt: 574.14 Num_heavy_atoms: 39
TPSA: 108.14 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
AD22693
Formula: C6H14ON2S

Smiles:
CNC(=S)NCCCOC
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.83
AlogP: 0.12 Num_rotatable_bonds: 4
MolWt: 162.26 Num_heavy_atoms: 10
TPSA: 33.29 NumAromaticRings: 0

Sugarmoiety
SD00017

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