Glycoside
GD152261
Name:
cyanidin 3-glucoside-5-(6-acetylglucoside)Formula:
C29H35O17Smiles:
CC(=O)OCC1OC(Oc2cc(O)cc3c2C=C(OC2OC(C[OH2+])C(O)C(O)C2O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1OAglycone:
COC(C)=O.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 655.58 | Num_heavy_atoms: | 46 |
| TPSA: | 277.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
