Glycoside
GD100029
Name:
NoneFormula:
C23H35O5N5Smiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccn3)CC2)[C@H](O)[C@@H]1O)NC1CCCCC1Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CNC(=O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.56 | Num_heavy_atoms: | 33 |
| TPSA: | 127.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD23111
Formula: C8H16ON2
Smiles:
CNC(=O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.23 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
