Glycoside
GD124882
Name:
Myricetin 3-(3'''-6'''-Diacetylglucosyl)-(1->4)-(2'',3''-Diacetylrhamnoside)Formula:
C35H38O21Smiles:
CC(=O)OCC1OC(OC2C(C)OC(Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC(C)=O)C2OC(C)=O)C(O)C(OC(C)=O)C1OAglycone:
COC(C)=O.O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(OC2C(C)OC(O)C(OC(C)=O)C2OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 794.67 | Num_heavy_atoms: | 56 |
| TPSA: | 313.94 | 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 |
AD01074
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
