Glycoside
GD008503
Name:
BRARTEMICINFormula:
C28H34O17Smiles:
Cc1cc(O)cc(O)c1C(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)c3c(C)cc(O)cc3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)c1c(C)cc(O)cc1O.COC(=O)c1c(C)cc(O)cc1OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.56 | Num_heavy_atoms: | 45 |
| TPSA: | 282.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD06784
Formula: C9H10O4
Smiles:
COC(=O)c1c(C)cc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.18 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
