Glycoside
...
GD009085

Name:
LEMNALOSIDE A

Formula:
C28H46O7

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@]2(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@H]3C=C(C)CC[C@H]32)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)=CCCC(C)C1CCC(C)(O)C2CCC(C)=CC12.COC(C)=O

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

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.82
AlogP: 3.9 Num_rotatable_bonds: 8
MolWt: 494.67 Num_heavy_atoms: 35
TPSA: 105.45 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
AD07167
Formula: C20H34O

Smiles:
CC(C)=CCCC(C)C1CCC(C)(O)C2CCC(C)=CC12
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.8
AlogP: 5.5 Num_rotatable_bonds: 4
MolWt: 290.49 Num_heavy_atoms: 21
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00017

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