Glycoside
GD131003
Name:
petunidin 3-sambubiosideFormula:
C27H33O16Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(C[OH2+])C(O)C(O)C2OC2OCC(O)C(O)C2O)cc(O)c1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(O)c1OSugarmoiety:
OC1COC(OC2C(O)OC(C[OH2+])C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 613.55 | Num_heavy_atoms: | 43 |
| TPSA: | 260.35 | 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 |
