Glycoside
GD147448
Name:
pelargonidin 3-(2'-acetylrutinoside)Formula:
C29H35O15Smiles:
CC(=[OH+])OC1C(OCC2OC(OC3=Cc4c(O)cc(O)cc4OC3c3ccc(O)cc3)C(O)C(O)C2O)OC(C)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1Sugarmoiety:
CC(=[OH+])OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 623.58 | Num_heavy_atoms: | 44 |
| TPSA: | 238.62 | NumAromaticRings: | 2 |
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 |
