Glycoside
GD155605
Name:
NoneFormula:
C23H29O5N5Smiles:
[O+]=C(CC1OC(CN=C(O)Nc2ccccc2)C(O)C1O)N1CCN(c2ccccn2)CC1Aglycone:
CC(=[OH+])N1CCN(c2ccccn2)CC1.CN=C(O)Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.52 | Num_heavy_atoms: | 33 |
| TPSA: | 133.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD46818
Formula: C8H10ON2
Smiles:
CN=C(O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | 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 |
