Glycoside
GD082399
Name:
NoneFormula:
C19H31O6N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1Cn2ccnc2C12CC[NH2+]CC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.48 | Num_heavy_atoms: | 29 |
| TPSA: | 142.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD37027
Formula: C13H21O2N4
Smiles:
O=C(NCCO)C1Cn2ccnc2C12CC[NH2+]CC2| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.34 | Num_heavy_atoms: | 19 |
| TPSA: | 83.76 | NumAromaticRings: | 1 |
