Glycoside
...
GD002777

Name:
Cumingianoside A

Formula:
C40H66O12

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)[C@H](O)C(C)(C)O)[C@]32C)C(O)C(O)C1O

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

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.95
AlogP: 3.24 Num_rotatable_bonds: 10
MolWt: 738.96 Num_heavy_atoms: 52
TPSA: 192.44 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
AD02508
Formula: C32H54O6

Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)O)C1(C)C
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.97
AlogP: 4.85 Num_rotatable_bonds: 6
MolWt: 534.78 Num_heavy_atoms: 38
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00017

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