Glycoside
GD121959
Name:
malvidin 3-o-(6-o-(4-o-caffeoyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)Formula:
C38H43O19Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(COC3OC(C)C(OC(=O)C=Cc4ccc(O)c(O)c4)C(O)C3O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1O.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.39 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 11 |
| MolWt: | 803.74 | Num_heavy_atoms: | 57 |
| TPSA: | 295.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | 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 |
