Glycoside
GD035988
Name:
NoneFormula:
C13H19O7N5Smiles:
NCC(=O)NCC(=O)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)CNC(=O)CN.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -4.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.32 | Num_heavy_atoms: | 25 |
| TPSA: | 188.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD18299
Formula: C5H11O2N3
Smiles:
CNC(=O)CNC(=O)CN| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 145.16 | Num_heavy_atoms: | 10 |
| TPSA: | 84.22 | NumAromaticRings: | 0 |
