Glycoside
...
GD012079

Name:
LEMNALOSIDE C

Formula:
C28H46O9

Smiles:
C=C(C)C(CC[C@H](C)[C@@H]1CC[C@@](C)(O[C@@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2CCC(C)=C[C@H]12)OO

Aglycone:
C=C(C)C(CCC(C)C1CCC(C)(O)C2CCC(C)=CC12)OO.COC(C)=O

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 4 FractionCSP3: 0.82
AlogP: 3.37 Num_rotatable_bonds: 10
MolWt: 526.67 Num_heavy_atoms: 37
TPSA: 134.91 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
AD09130
Formula: C20H34O3

Smiles:
C=C(C)C(CCC(C)C1CCC(C)(O)C2CCC(C)=CC12)OO
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.8
AlogP: 4.97 Num_rotatable_bonds: 6
MolWt: 322.49 Num_heavy_atoms: 23
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD00017

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