Glycoside
GD011903
Name:
NoneFormula:
C30H36O14Smiles:
O=C(OCCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)c1cccc2c1-c1ccccc1C2=OAglycone:
O=C(OCCCCO)c1cccc2c1-c1ccccc1C2=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 620.6 | Num_heavy_atoms: | 44 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD03339
Formula: C18H16O4
Smiles:
O=C(OCCCCO)c1cccc2c1-c1ccccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 296.32 | Num_heavy_atoms: | 22 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
