Glycoside
GD081290
Name:
NoneFormula:
C18H29O8N3Smiles:
CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)C1=OAglycone:
CN(C)C(=O)CN1CCC2(CCCNC2)C1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 415.44 | Num_heavy_atoms: | 29 |
| TPSA: | 158.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD36638
Formula: C12H21O2N3
Smiles:
CN(C)C(=O)CN1CCC2(CCCNC2)C1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.32 | Num_heavy_atoms: | 17 |
| TPSA: | 52.65 | NumAromaticRings: | 0 |
