Glycoside
...
GD011317

Name:
None

Formula:
C43H66O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@H](C)[C@H]6[C@@]5(C)CC[C@H]43)C2)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 4 FractionCSP3: 0.91
AlogP: 3.53 Num_rotatable_bonds: 7
MolWt: 806.99 Num_heavy_atoms: 57
TPSA: 188.9 NumAromaticRings: 0

Unique Aglycone
AD00005
Formula: C27H42O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 0.93
AlogP: 5.71 Num_rotatable_bonds: 0
MolWt: 414.63 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0
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

Sugarmoiety
SD01637

CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(O)C2O)C(O)C1O