Glycoside
...
GD137711

Name:
{6-[(6-{3,3b,5,6,7-pentahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptyl)oxy]-5-hydroxy-4-methoxyoxan-3-yl}oxidanesulfonic acid

Formula:
C34H58O13S

Smiles:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)COC1OCC(OS(=O)(=O)O)C(OC)C1O

Aglycone:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO.O=S(=O)(O)O

Sugarmoiety:
COC1C(O)COC(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.94
AlogP: 1.58 Num_rotatable_bonds: 11
MolWt: 706.89 Num_heavy_atoms: 48
TPSA: 212.67 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
AD11844
Formula: C28H48O6

Smiles:
C=C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.63 Num_rotatable_bonds: 6
MolWt: 480.69 Num_heavy_atoms: 34
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD01040

COC1C(O)COC(O)C1O