Glycoside
GD117990
Name:
malvidin 3-glucoside-5-(6-acetylglucoside)Formula:
C30H37O19Smiles:
COc1cc(C2Oc3cc(O)cc(OC4OC(COC(=O)O)C(O)C(O)C4O)c3C=C2OC2OC(C[OH2+])C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)O.COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 701.61 | Num_heavy_atoms: | 49 |
| TPSA: | 295.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD06001
Formula: C2H4O3
Smiles:
COC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
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 |
