Glycoside
GD139494
Name:
pelargonidin 3-(4'''-p-coumarylrutinoside)Formula:
C36H39O16Smiles:
CC1OC(OCC2OC(OC3=Cc4c(O)cc(O)cc4OC3c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1OC(=O)C=Cc1ccc([OH2+])cc1Aglycone:
O=C(O)C=Cc1ccc([OH2+])cc1.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 727.69 | Num_heavy_atoms: | 52 |
| TPSA: | 257.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD24597
Formula: C15H12O5
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
AD49672
Formula: C9H9O3
Smiles:
O=C(O)C=Cc1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.17 | Num_heavy_atoms: | 12 |
| TPSA: | 60.2 | NumAromaticRings: | 1 |
