Glycoside
...
GD135660

Name:
calyculaglycoside a

Formula:
C30H48O8

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

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

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

Other Identifiers

Properties
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.73
AlogP: 4.92 Num_rotatable_bonds: 6
MolWt: 536.71 Num_heavy_atoms: 38
TPSA: 111.52 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
SD01371

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