Glycoside
GD053980
Name:
NoneFormula:
C14H21O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)/C=C/c2c[nH]cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(C=Cc1c[nH]cn1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 327.34 | Num_heavy_atoms: | 23 |
| TPSA: | 136.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD27508
Formula: C8H11O2N3
Smiles:
O=C(C=Cc1c[nH]cn1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 78.01 | NumAromaticRings: | 1 |
