Glycoside
GD033218
Name:
NoneFormula:
C27H34O9N2Smiles:
C=C[C@@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1C(=COC)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC1CN2CCC3(C(=O)Nc4ccccc43)C2CC1C(=COC)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.57 | Num_heavy_atoms: | 38 |
| TPSA: | 158.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD21219
Formula: C21H24O4N2
Smiles:
C=CC1CN2CCC3(C(=O)Nc4ccccc43)C2CC1C(=COC)C(=O)O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.43 | Num_heavy_atoms: | 27 |
| TPSA: | 78.87 | NumAromaticRings: | 1 |
