Glycoside
GD081429
Name:
NoneFormula:
C20H32O7N2Smiles:
O=C(NCC1CC1)[C@@H]1CCC2(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)C1Aglycone:
O=C(NCC1CC1)C1CCC2(CCNCC2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 147.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD36671
Formula: C14H24ON2
Smiles:
O=C(NCC1CC1)C1CCC2(CCNCC2)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.36 | Num_heavy_atoms: | 17 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
