Glycoside
GD015591
Name:
GENICULATINFormula:
C62H56O28Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O[C@@H]3O[C@H](COC(=O)[C@H]4[C@H](c5ccc(O)cc5)[C@@H](C(=O)OC[C@@H]5O[C@H](Oc6c(-c7ccc(O)cc7)oc7cc(O)c(OC)c(O)c7c6=O)[C@H](O)[C@H](O)[C@H]5O)[C@H]4c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2c1OAglycone:
COC(=O)C1C(c2ccc(O)cc2)C(C(=O)OC)C1c1ccc(O)cc1.COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O.COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 11 |
| HBD: | 14 | FractionCSP3: | 0.29 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 16 |
| MolWt: | 1249.1 | Num_heavy_atoms: | 90 |
| TPSA: | 451.62 | NumAromaticRings: | 8 |
Unique Aglycone
AD04392
Formula: C16H12O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
AD11314
Formula: C20H20O6
Smiles:
COC(=O)C1C(c2ccc(O)cc2)C(C(=O)OC)C1c1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
