Glycoside
...
GD012610

Name:
ASTERIIDOSIDE I

Formula:
C37H61O17S

Smiles:
CC(C)[C@H](C=C[C@H](C)[C@@H]1C[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1[C@@]2(O)[C@H](O)[C@H](O)[C@@H]2C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]21C)O[C@@H]1OC[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O

Aglycone:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O.O=S(=O)([O-])O

Sugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: -1.35 Num_rotatable_bonds: 10
MolWt: 809.95 Num_heavy_atoms: 55
TPSA: 285.42 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
AD06203
Formula: C27H46O6

Smiles:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.24 Num_rotatable_bonds: 4
MolWt: 466.66 Num_heavy_atoms: 33
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD00378

OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1O