Glycoside
...
GD023486

Name:
None

Formula:
C47H72O23S2

Smiles:
CC(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]7O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)[C@@]2(C)CC(=O)[C@H]13

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

Sugarmoiety:
CC1OC(OC2C(O)OCOC2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 6 FractionCSP3: 0.91
AlogP: 0.36 Num_rotatable_bonds: 15
MolWt: 1069.2 Num_heavy_atoms: 72
TPSA: 352.99 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
AD00581
Formula: CH3O4S

Smiles:
COS(=O)(=O)[O-]
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: -0.91 Num_rotatable_bonds: 1
MolWt: 111.1 Num_heavy_atoms: 6
TPSA: 66.43 NumAromaticRings: 0
AD05963
Formula: C30H46O4

Smiles:
CC(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: 0.87
AlogP: 6.25 Num_rotatable_bonds: 4
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD01248

CC1OC(OC2C(O)OCOC2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O