Glycoside
GD024491
Name:
NoneFormula:
C27H45O7N5Smiles:
CN[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](N)C[C@@H](N)[C@@H](O[C@@H]3OC(CNCCc4ccccc4)=CC[C@H]3N)[C@H]2O)OC[C@]1(C)OAglycone:
NC1CC=C(CNCCc2ccccc2)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 551.69 | Num_heavy_atoms: | 39 |
| TPSA: | 199.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD16336
Formula: C20H32O4N4
Smiles:
NC1CC=C(CNCCc2ccccc2)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.5 | Num_heavy_atoms: | 28 |
| TPSA: | 149.01 | NumAromaticRings: | 1 |
