Glycoside
GD129520
Name:
Myricetin 3,7-DiglucuronideFormula:
C27H26O20Smiles:
O=C(O)C1OC(Oc2cc(O)c3c(=O)c(OC4OC(C(=O)O)C(O)C(O)C4O)c(-c4cc(O)c(O)c(O)c4)oc3c2)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.37 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 670.49 | Num_heavy_atoms: | 47 |
| TPSA: | 344.03 | 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 |
