Glycoside
GD140032
Name:
malvidin 3-(6''-p-coumarylglucoside)Formula:
C32H33O14Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC(=O)C=Cc3ccc([OH2+])cc3)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 641.6 | Num_heavy_atoms: | 46 |
| TPSA: | 216.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD45655
Formula: C10H11O3
Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.19 | Num_heavy_atoms: | 13 |
| TPSA: | 49.2 | NumAromaticRings: | 1 |
AD45815
Formula: C17H16O7
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
