Glycoside
GD002671
Name:
NoneFormula:
C31H33O4N6ClSmiles:
Cc1ccccc1CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](O)[C@H]1OAglycone:
Cc1ccccc1CNc1nc(Cl)nc2c1N=C[N]2.O=CN1CCC(Cc2ccccc2)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 577.09 | Num_heavy_atoms: | 41 |
| TPSA: | 125.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD02520
Formula: C14H11N5Cl
Smiles:
Cc1ccccc1CNc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.72 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD02521
Formula: C13H17ON
Smiles:
O=CN1CCC(Cc2ccccc2)CC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.28 | Num_heavy_atoms: | 15 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
