Glycoside
GD093823
Name:
NoneFormula:
C22H33O7N3Smiles:
COC[C@@H]1CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)CN1Cc1ccccn1Aglycone:
COCC1CC2(CCNCC2)CN1Cc1ccccn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.52 | Num_heavy_atoms: | 32 |
| TPSA: | 143.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD40453
Formula: C16H25ON3
Smiles:
COCC1CC2(CCNCC2)CN1Cc1ccccn1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 275.4 | Num_heavy_atoms: | 20 |
| TPSA: | 37.39 | NumAromaticRings: | 1 |
