Glycoside
GD138760
Name:
petunidin 3-(6''-acetylglucoside)Formula:
C24H27O13Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC(C)=[OH+])C(O)C(O)C2O)cc(O)c1OAglycone:
COC(C)=[OH+].COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 523.47 | Num_heavy_atoms: | 37 |
| TPSA: | 209.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD45274
Formula: C16H14O7
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
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 |
