Glycoside
...
GD020666

Name:
None

Formula:
C41H61O15S

Smiles:
C=C(C)CCC[C@@]1(C)OC(=O)[C@@]23CC=C4[C@H](CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](OS(=O)(=O)[O-])[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@@]2(C)CC(=O)[C@H]13

Aglycone:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13.O=S(=O)([O-])O

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 4 FractionCSP3: 0.85
AlogP: 2.97 Num_rotatable_bonds: 10
MolWt: 825.99 Num_heavy_atoms: 57
TPSA: 227.64 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
AD00886
Formula: C30H44O4

Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13
HBA: 4 RingCount: 5
HBD: 1 FractionCSP3: 0.8
AlogP: 6.17 Num_rotatable_bonds: 4
MolWt: 468.68 Num_heavy_atoms: 34
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00143

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O