Glycoside
...
GD036504

Name:
None

Formula:
C41H63O16S

Smiles:
C=C(C)CCC(O)[C@@]1(C)OC(=O)[C@@]23CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O)[C@H]6O)CC[C@]45C)[C@@]2(C)CC[C@@H]13

Aglycone:
C=C(C)CCC(O)C1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13.O=S(=O)([O-])O

Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.88
AlogP: 1.74 Num_rotatable_bonds: 11
MolWt: 844.01 Num_heavy_atoms: 58
TPSA: 251.03 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
AD04150
Formula: C30H46O4

Smiles:
C=C(C)CCC(O)C1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 5.97 Num_rotatable_bonds: 4
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00347

OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O