Glycoside
...
GD136996

Name:
aphelasteroside c

Formula:
C33H54O14S2

Smiles:
CC(C)C(O)C(=O)CC(C)C1CCC2C3CC(OS(=O)(=O)O)C4CC(OC5OC(C)C(OS(=O)(=O)O)C(O)C5O)CCC4(C)C3=CCC12C

Aglycone:
CC(C)C(O)C(=O)CC(C)C1CCC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3=CCC12C.O=S(=O)(O)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.91
AlogP: 3.02 Num_rotatable_bonds: 11
MolWt: 738.92 Num_heavy_atoms: 49
TPSA: 223.42 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
AD55367
Formula: C27H44O7S

Smiles:
CC(C)C(O)C(=O)CC(C)C1CCC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3=CCC12C
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.34 Num_rotatable_bonds: 7
MolWt: 512.71 Num_heavy_atoms: 35
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O