Glycoside
...
GD011525

Name:
None

Formula:
C19H32O11S

Smiles:
C[C@H](C=C[C@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O

Aglycone:
CC(O)C=CC1(O)C(C)CC(=O)CC1(C)C.O=S(=O)(O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.84
AlogP: -0.67 Num_rotatable_bonds: 7
MolWt: 468.52 Num_heavy_atoms: 31
TPSA: 180.05 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD08802
Formula: C13H22O3

Smiles:
CC(O)C=CC1(O)C(C)CC(=O)CC1(C)C
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.77
AlogP: 1.68 Num_rotatable_bonds: 2
MolWt: 226.32 Num_heavy_atoms: 16
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O