Glycoside
GD056838
Name:
NoneFormula:
C13H21O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2c[nH]c(=O)n2C)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
Cn1c(C(=O)NCCO)c[nH]c1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 331.33 | Num_heavy_atoms: | 23 |
| TPSA: | 146.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD28559
Formula: C7H11O3N3
Smiles:
Cn1c(C(=O)NCCO)c[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 185.18 | Num_heavy_atoms: | 13 |
| TPSA: | 87.12 | NumAromaticRings: | 1 |
