Glycoside
GD116122
Name:
delphinidin 3-rhamnoside-5-glucosideFormula:
C27H33O16Smiles:
CC1OC(OC2=Cc3c(cc(O)cc3OC3OC(C[OH2+])C(O)C(O)C3O)OC2c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 613.55 | Num_heavy_atoms: | 43 |
| TPSA: | 271.35 | 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 |
