Glycoside
...
GD155331

Name:
None

Formula:
C35H62O14S

Smiles:
CC(C)C(CCOC1OC(CO)C(O)C(O)C1OS(=O)(=O)O)CCC(C)C1CC(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12C

Aglycone:
CC(C)C(CCO)CCC(C)C1CC(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12C.O=S(=O)(O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 9 FractionCSP3: 1.0
AlogP: 0.9 Num_rotatable_bonds: 12
MolWt: 738.93 Num_heavy_atoms: 50
TPSA: 243.9 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD46849
Formula: C29H52O6

Smiles:
CC(C)C(CCO)CCC(C)C1CC(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12C
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 1.0
AlogP: 3.25 Num_rotatable_bonds: 7
MolWt: 496.73 Num_heavy_atoms: 35
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O