Glycoside
...
GD003145

Name:
APHELASTEROSIDE C

Formula:
C33H52O14S2

Smiles:
CC(C)[C@H](O)C(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[C@H](OS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]4(C)C3=CC[C@@]12C

Aglycone:
CC(C)C(O)C(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[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: 3 FractionCSP3: 0.91
AlogP: 2.33 Num_rotatable_bonds: 11
MolWt: 736.9 Num_heavy_atoms: 49
TPSA: 229.08 NumAromaticRings: 0

Unique Aglycone
AD00426
Formula: HO4S

Smiles:
O=S(=O)([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -1.0 Num_rotatable_bonds: 0
MolWt: 97.07 Num_heavy_atoms: 5
TPSA: 77.43 NumAromaticRings: 0
AD02888
Formula: C27H43O7S

Smiles:
CC(C)C(O)C(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: 3.99 Num_rotatable_bonds: 7
MolWt: 511.7 Num_heavy_atoms: 35
TPSA: 123.96 NumAromaticRings: 0

Sugarmoiety
SD00076

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