Glycoside
GD012727
Name:
NoneFormula:
C16H24O9N6Smiles:
NC(=O)NCCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
NC(=O)NCCCC(N)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -4.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.4 | Num_heavy_atoms: | 31 |
| TPSA: | 252.09 | 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 |
AD00461
Formula: C8H16O4N4
Smiles:
NC(=O)NCCCC(N)C(=O)NCC(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 232.24 | Num_heavy_atoms: | 16 |
| TPSA: | 147.54 | NumAromaticRings: | 0 |
