Glycoside
...
GD004254

Name:
Cumingianoside E

Formula:
C40H64O11

Smiles:
CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)C3CC[C@@]45C[C@@]4(CC[C@H]5C(C)C[C@H](O)C4OC4(C)C)[C@]32C)C(O)C(O)C1O

Aglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C2OC2(C)C)C1(C)C.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 4 FractionCSP3: 0.95
AlogP: 4.29 Num_rotatable_bonds: 9
MolWt: 720.94 Num_heavy_atoms: 51
TPSA: 164.51 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD03742
Formula: C32H52O5

Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C2OC2(C)C)C1(C)C
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.97
AlogP: 5.89 Num_rotatable_bonds: 5
MolWt: 516.76 Num_heavy_atoms: 37
TPSA: 79.29 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O