Glycoside
GD118072
Name:
6-hydroxydelphinidin 3-rutinosideFormula:
C27H33O17Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc(O)c(O)c4O)OC3c3cc(O)c(O)c([OH2+])c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(cc(O)c(O)c2O)OC1c1cc(O)c(O)c([OH2+])c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.48 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 629.54 | Num_heavy_atoms: | 44 |
| TPSA: | 291.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD47163
Formula: C15H13O8
Smiles:
OC1=Cc2c(cc(O)c(O)c2O)OC1c1cc(O)c(O)c([OH2+])c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.07 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 321.26 | Num_heavy_atoms: | 23 |
| TPSA: | 153.51 | NumAromaticRings: | 2 |
