Glycoside
GD129994
Name:
malvidin 3-(6''-acetylglucoside)Formula:
C25H29O13Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC(C)=[OH+])C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(C)=[OH+].COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 537.49 | Num_heavy_atoms: | 38 |
| TPSA: | 198.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD45808
Formula: C3H7O2
Smiles:
COC(C)=[OH+]| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.09 | Num_heavy_atoms: | 5 |
| TPSA: | 30.63 | 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 |
