Glycoside
...
GD118429

Name:
Calyculaglycoside E

Formula:
C28H46O7

Smiles:
CC(=O)OCC1OC(OC(C)(C)C2CC=C(C)CCC=C(C)CCC=C(C)CC2)C(O)C(O)C1O

Aglycone:
CC1=CCCC(C)=CCC(C(C)(C)O)CCC(C)=CCC1.COC(C)=O

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

Other Identifiers

Properties
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.75
AlogP: 4.35 Num_rotatable_bonds: 5
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
AD47350
Formula: C20H34O

Smiles:
CC1=CCCC(C)=CCC(C(C)(C)O)CCC(C)=CCC1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.7
AlogP: 5.96 Num_rotatable_bonds: 1
MolWt: 290.49 Num_heavy_atoms: 21
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00017

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