Glycoside
GD155414
Name:
peonidin 3-(4'-arabinosylglucoside)Formula:
C27H33O15Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2OC2OC(C[OH2+])C(OC3OCC(O)C(O)C3O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1OSugarmoiety:
OC1COC(OC2C(C[OH2+])OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 597.55 | Num_heavy_atoms: | 42 |
| TPSA: | 240.12 | 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 |
