Glycoside
GD157463
Name:
8beta-d-glucopyranosyloxy-4-methoxy-5-methylcoumarin peracetateFormula:
C25H28O13Smiles:
COc1cc(=O)oc2c(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)ccc(C)c12Aglycone:
COC(C)=O.COc1cc(=O)oc2c(O)ccc(C)c12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 163.1 | NumAromaticRings: | 2 |
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 |
AD58321
Formula: C11H10O4
Smiles:
COc1cc(=O)oc2c(O)ccc(C)c12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
