Glycoside
...
GD012341

Name:
None

Formula:
C28H31O8N2ClS

Smiles:
CC(=O)OC[C@@H]1O[C@H](SC2=NC3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)cc3)N2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)CC(=O)C2=C(C1)N=C(S)NC2c1ccc(Cl)cc1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 1 FractionCSP3: 0.52
AlogP: 3.87 Num_rotatable_bonds: 6
MolWt: 579.07 Num_heavy_atoms: 39
TPSA: 129.59 NumAromaticRings: 1

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
AD09323
Formula: C17H17ON2ClS

Smiles:
CC1(C)CC(=O)C2=C(C1)N=C(S)NC2c1ccc(Cl)cc1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.38
AlogP: 3.91 Num_rotatable_bonds: 1
MolWt: 320.85 Num_heavy_atoms: 21
TPSA: 41.46 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O