Glycoside
GD033439
Name:
NoneFormula:
C35H35O14NSmiles:
O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)noc2c1Aglycone:
O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 13 |
| MolWt: | 693.66 | Num_heavy_atoms: | 50 |
| TPSA: | 235.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD16071
Formula: C29H27O8N
Smiles:
O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 517.53 | Num_heavy_atoms: | 38 |
| TPSA: | 139.32 | NumAromaticRings: | 4 |
