Glycoside
...
GD009915

Name:
None

Formula:
C29H33O11NS

Smiles:
CC(=O)C1O[C@H](Oc2ccc(C=C(C)C(=O)N[C@@H]3[C@H](O)[C@H](O)[C@@H]4OCO[C@H]4[C@H]3O)cc2O)[C@H](O)C1Sc1ccccc1

Aglycone:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1O.Sc1ccccc1

Sugarmoiety:
CC(=O)C1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.45
AlogP: 0.33 Num_rotatable_bonds: 8
MolWt: 603.65 Num_heavy_atoms: 42
TPSA: 184.24 NumAromaticRings: 2

Unique Aglycone
AD00098
Formula: C17H21O8N

Smiles:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1O
HBA: 9 RingCount: 3
HBD: 6 FractionCSP3: 0.47
AlogP: -1.18 Num_rotatable_bonds: 3
MolWt: 367.35 Num_heavy_atoms: 26
TPSA: 148.71 NumAromaticRings: 1
AD07729
Formula: C6H6S

Smiles:
Sc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.98 Num_rotatable_bonds: 0
MolWt: 110.18 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD00515

CC(=O)C1OC(O)C(O)C1O