Glycoside
GD142875
Name:
peonidin 3-gentiotriosideFormula:
C34H45O21Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(COC3OC(COC4OC(C[OH2+])C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1OSugarmoiety:
OC1OC(COC2OC(COC3OC(C[OH2+])C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.59 |
| AlogP: | -4.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 789.71 | Num_heavy_atoms: | 55 |
| TPSA: | 339.5 | 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 |
