Glycoside
GD134705
Name:
delphinidin 3-[6-(3-acetylrhamnosyl)glucoside]Formula:
C29H35O17Smiles:
CC(=[OH+])OC1C(O)C(C)OC(OCC2OC(OC3=Cc4c(O)cc(O)cc4OC3c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
CC(=[OH+])OC1C(O)C(C)OC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 655.58 | Num_heavy_atoms: | 46 |
| TPSA: | 279.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD45104
Formula: C15H12O7
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
