Glycoside
...
GD147354

Name:
None

Formula:
C33H56O14S

Smiles:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COC1OC(OS(=O)(=O)O)C(O)C(O)C1O

Aglycone:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)CO.O=S(=O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 9 FractionCSP3: 0.94
AlogP: 0.1 Num_rotatable_bonds: 9
MolWt: 708.86 Num_heavy_atoms: 48
TPSA: 243.9 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
AD46754
Formula: C28H48O6

Smiles:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)CO
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.49 Num_rotatable_bonds: 5
MolWt: 480.69 Num_heavy_atoms: 34
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD00017

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