Glycoside
GD024341
Name:
NoneFormula:
C15H24O6N4Smiles:
CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CCC(C)C(CO)NC=O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.38 | Num_heavy_atoms: | 25 |
| TPSA: | 159.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD14198
Formula: C7H15O2N
Smiles:
CCC(C)C(CO)NC=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 145.2 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
