Glycoside
GD119366
Name:
NoneFormula:
C21H26O6N4Smiles:
O=C(NCC1OC(CC(=[O+])N2CCN(c3ccccn3)CC2)C(O)C1O)c1ccco1Aglycone:
CC(=[OH+])N1CCN(c2ccccn2)CC1.CNC(=O)c1ccco1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.46 | Num_heavy_atoms: | 31 |
| TPSA: | 131.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD18098
Formula: C6H7O2N
Smiles:
CNC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.24 | 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 |
