Glycoside
GD033949
Name:
NoneFormula:
C34H35O10FSmiles:
C[C@H](C(=O)OC1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](c1cccc(O[C@@H]2CCc3cc(-c4cc(O)ccc4F)ccc32)c1)C1CC1Aglycone:
CC(C(=O)O)C(c1cccc(OC2CCc3cc(-c4cc(O)ccc4F)ccc32)c1)C1CC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.64 | Num_heavy_atoms: | 45 |
| TPSA: | 162.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD21632
Formula: C28H27O4F
Smiles:
CC(C(=O)O)C(c1cccc(OC2CCc3cc(-c4cc(O)ccc4F)ccc32)c1)C1CC1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 6.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.52 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 3 |
