Glycoside
GD153147
Name:
petunidin 3-[6-(rhamnosyl)-2-(xylosyl)glucoside]Formula:
C33H43O20Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)cc(O)c1OAglycone:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(O)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.58 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 759.69 | Num_heavy_atoms: | 53 |
| TPSA: | 319.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD46387
Formula: C16H15O7
Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.29 | Num_heavy_atoms: | 23 |
| TPSA: | 122.28 | NumAromaticRings: | 2 |
