Glycoside
GD035261
Name:
NoneFormula:
C38H43O11N2FSmiles:
CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)cc2)C3)cc(OCC)c1-c1ccc(F)cc1Aglycone:
CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(OCC)c1-c1ccc(F)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 722.76 | Num_heavy_atoms: | 52 |
| TPSA: | 175.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD22320
Formula: C32H35O5N2F
Smiles:
CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(OCC)c1-c1ccc(F)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 546.64 | Num_heavy_atoms: | 40 |
| TPSA: | 79.31 | NumAromaticRings: | 3 |
