Glycoside
GD031415
Name:
Myricetin 3-(3'',4''-Diacetylrhamnoside)Formula:
C25H24O14Smiles:
CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1OC(C)=OAglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.45 | Num_heavy_atoms: | 39 |
| TPSA: | 222.65 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
