Glycoside
GD157688
Name:
peonidin 3-gentiobiosideFormula:
C28H35O16Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC3OC(C[OH2+])C(O)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1OSugarmoiety:
OC1OC(COC2OC(C[OH2+])C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 627.57 | Num_heavy_atoms: | 44 |
| TPSA: | 260.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD45387
Formula: C16H14O6
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
