Glycoside
GD129986
Name:
NoneFormula:
C24H30O4N4ClSmiles:
[O+]=C(CC1OC(C[NH2+]Cc2cccc(Cl)c2)C(O)C1O)N1CCN(c2ccccn2)CC1Aglycone:
CC(=[OH+])N1CCN(c2ccccn2)CC1.C[NH2+]Cc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.97 | Num_heavy_atoms: | 32 |
| TPSA: | 105.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD36253
Formula: C9H11NCl
Smiles:
C[NH2+]Cc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.64 | Num_heavy_atoms: | 10 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
AD47809
Formula: C11H16ON3
Smiles:
CC(=[OH+])N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.27 | Num_heavy_atoms: | 15 |
| TPSA: | 40.77 | NumAromaticRings: | 1 |
