Glycoside
GD119040
Name:
8-C-Glucosylchromone 2'-O-P-Methoxycoumaroyl 5-Methyl-7-Hydroxy 2-AcetonylFormula:
C29H30O11Smiles:
COc1ccc(C=CC(=O)OC2C(c3c(O)cc(C)c4c(=O)cc(CC(C)=O)oc34)OC(CO)C(O)C2O)cc1Aglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1.COc1ccc(C=CC(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.34 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.55 | Num_heavy_atoms: | 40 |
| TPSA: | 172.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD02513
Formula: C10H10O3
Smiles:
COc1ccc(C=CC(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD06372
Formula: C13H12O4
Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
