Glycoside
GD081951
Name:
NoneFormula:
C21H30O7N2Smiles:
Cc1cccc(N2CCC[C@]3(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CCO3)C2)c1Aglycone:
Cc1cccc(N2CCCC3(CNCCO3)C2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.48 | Num_heavy_atoms: | 30 |
| TPSA: | 130.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD36806
Formula: C15H22ON2
Smiles:
Cc1cccc(N2CCCC3(CNCCO3)C2)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.35 | Num_heavy_atoms: | 18 |
| TPSA: | 24.5 | NumAromaticRings: | 1 |
