Glycoside
GD081238
Name:
NoneFormula:
C20H26O8N2Smiles:
O=C(C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=C1COC2(CCNCC2)CN1c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 147.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD36625
Formula: C14H18O2N2
Smiles:
O=C1COC2(CCNCC2)CN1c1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
