Glycoside
GD012297
Name:
NoneFormula:
C20H24O10N4Smiles:
N[C@H](C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)[C@H](O)Cc1ccc(O)cc1Aglycone:
NC(C(=O)NCC(=O)O)C(O)Cc1ccc(O)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.43 | Num_heavy_atoms: | 34 |
| TPSA: | 237.43 | NumAromaticRings: | 2 |
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 |
AD09291
Formula: C12H16O5N2
Smiles:
NC(C(=O)NCC(=O)O)C(O)Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 268.27 | Num_heavy_atoms: | 19 |
| TPSA: | 132.88 | NumAromaticRings: | 1 |
