Glycoside
...
GD156192

Name:
Salvigreside C

Formula:
C28H46O10

Smiles:
CC(=O)OCC1OC(OC2CC(C)C(C)(CCC(=CCO)CO)C3CCC=C(CO)C23C)C(O)C(O)C1O

Aglycone:
CC1CC(O)C2(C)C(CO)=CCCC2C1(C)CCC(=CCO)CO.COC(C)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.82
AlogP: 0.81 Num_rotatable_bonds: 10
MolWt: 542.67 Num_heavy_atoms: 38
TPSA: 166.14 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
AD61875
Formula: C20H34O4

Smiles:
CC1CC(O)C2(C)C(CO)=CCCC2C1(C)CCC(=CCO)CO
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.8
AlogP: 2.42 Num_rotatable_bonds: 6
MolWt: 338.49 Num_heavy_atoms: 24
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00017

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