Glycoside
...
GD020788

Name:
Cumingianoside F

Formula:
C38H62O10

Smiles:
CC(=O)OCC1OC(O[C@@H]2CC3C(C)(C)[C@H](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(CC(O)C1OC1(C)C)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(O)C13C.COC(C)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 7
HBD: 5 FractionCSP3: 0.97
AlogP: 3.72 Num_rotatable_bonds: 8
MolWt: 678.9 Num_heavy_atoms: 48
TPSA: 158.44 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
AD14298
Formula: C30H50O4

Smiles:
CC(CC(O)C1OC1(C)C)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(O)C13C
HBA: 4 RingCount: 6
HBD: 3 FractionCSP3: 1.0
AlogP: 5.32 Num_rotatable_bonds: 4
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 73.22 NumAromaticRings: 0

Sugarmoiety
SD00017

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