Glycoside
GD117878
Name:
Syringetin 3-(4''',6'''-Diacetylglucosyl)(1->3)-GalactosideFormula:
C33H38O20Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(O)C3O)C2O)cc(OC)c1OAglycone:
COC(C)=O.COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OSugarmoiety:
CC(=O)OC1C(O)OC(OC2C(O)C(O)OC(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 754.65 | Num_heavy_atoms: | 53 |
| TPSA: | 300.03 | NumAromaticRings: | 3 |
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 |
AD09324
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
