Glycoside
GD122470
Name:
MesueinFormula:
C28H34O15Smiles:
Cc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c1OAglycone:
Cc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD49353
Formula: C16H14O6
Smiles:
Cc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
