Glycoside
...
GD140259

Name:
W341C

Formula:
C47H80O16

Smiles:
CCOC1C(OC)C(C)C(CC2CC(OC)C(C)C3(O2)OC(C2OC(C4CCC(C5OC(C)(O)C(C)CC5C)O4)CC2OC2CCC(OC)C(C)O2)CC3C)OC1(O)C(C)C(=O)O

Aglycone:
CCC(=O)O.COC1CCC(OC2CC(C3CCC(C4OC(C)(O)C(C)CC4C)O3)OC2C2CC(C)C3(OC(C)CC(OC)C3C)O2)OC1C

Sugarmoiety:
CCOC1C(OC)C(C)C(O)OC1(O)O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 3 FractionCSP3: 0.98
AlogP: 5.2 Num_rotatable_bonds: 14
MolWt: 901.14 Num_heavy_atoms: 63
TPSA: 188.52 NumAromaticRings: 0

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD56558
Formula: C35H60O10

Smiles:
COC1CCC(OC2CC(C3CCC(C4OC(C)(O)C(C)CC4C)O3)OC2C2CC(C)C3(OC(C)CC(OC)C3C)O2)OC1C
HBA: 10 RingCount: 6
HBD: 1 FractionCSP3: 1.0
AlogP: 4.97 Num_rotatable_bonds: 7
MolWt: 640.86 Num_heavy_atoms: 45
TPSA: 103.3 NumAromaticRings: 0

Sugarmoiety
SD08567

CCOC1C(OC)C(C)C(O)OC1(O)O