Glycoside
...
GD155375

Name:
Salvigreside D

Formula:
C28H42O8

Smiles:
CC(=O)OCC1OC(OC2CC(C)C(C)(CCc3ccoc3)C3CCC=C(C)C23C)C(O)C(O)C1O

Aglycone:
CC1=CCCC2C(C)(CCc3ccoc3)C(C)CC(O)C12C.COC(C)=O

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

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.75
AlogP: 3.38 Num_rotatable_bonds: 7
MolWt: 506.64 Num_heavy_atoms: 36
TPSA: 118.59 NumAromaticRings: 1

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
AD61638
Formula: C20H30O2

Smiles:
CC1=CCCC2C(C)(CCc3ccoc3)C(C)CC(O)C12C
HBA: 2 RingCount: 3
HBD: 1 FractionCSP3: 0.7
AlogP: 4.98 Num_rotatable_bonds: 3
MolWt: 302.46 Num_heavy_atoms: 22
TPSA: 33.37 NumAromaticRings: 1

Sugarmoiety
SD00017

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