Glycoside
GD151310
Name:
malvidin 3-o-{6-o-[(z)-caffeoyl]-beta-d-glucoside}Formula:
C32H33O15Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 657.6 | Num_heavy_atoms: | 47 |
| TPSA: | 236.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD46609
Formula: C17H17O7
Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.32 | Num_heavy_atoms: | 24 |
| TPSA: | 111.28 | NumAromaticRings: | 2 |
