Glycoside
GD152060
Name:
3R-(+)-5-O-[6'-O-Acetyl]-Α-D-Glucopyranosyl-5-HydroxymelleinFormula:
C18H22O10Smiles:
CC(=O)OCC1OC(Oc2ccc(O)c3c2CC(C)OC3=O)C(O)C(O)C1OAglycone:
CC1Cc2c(O)ccc(O)c2C(=O)O1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.36 | Num_heavy_atoms: | 28 |
| TPSA: | 151.98 | 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 |
AD53106
Formula: C10H10O4
Smiles:
CC1Cc2c(O)ccc(O)c2C(=O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
