Glycoside
GD047449
Name:
NoneFormula:
C13H21O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cc2cnc[nH]2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(Cc1cnc[nH]1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 315.33 | Num_heavy_atoms: | 22 |
| TPSA: | 136.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD25509
Formula: C7H11O2N3
Smiles:
O=C(Cc1cnc[nH]1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 78.01 | NumAromaticRings: | 1 |
