Glycoside
GD083250
Name:
NoneFormula:
C20H31O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2CCN(Cc3ccccn3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CCN(Cc2ccccn2)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 409.48 | Num_heavy_atoms: | 29 |
| TPSA: | 124.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD37175
Formula: C14H21O2N3
Smiles:
O=C(NCCO)C1CCN(Cc2ccccn2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 263.34 | Num_heavy_atoms: | 19 |
| TPSA: | 65.46 | NumAromaticRings: | 1 |
