Glycoside
GD007974
Name:
NoneFormula:
C13H18O8N6Smiles:
CN(N=O)C(=O)NCCNC(=O)[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CN(N=O)C(=O)NCCNC=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.32 | Num_heavy_atoms: | 27 |
| TPSA: | 195.42 | 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 |
AD06427
Formula: C5H10O3N4
Smiles:
CN(N=O)C(=O)NCCNC=O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 174.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.87 | NumAromaticRings: | 0 |
