Glycoside
GD005038
Name:
NIKKOMYCINFormula:
C20H25O10N5Smiles:
C[C@H]([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]1O)[C@H](O)c1ccc(O)cn1Aglycone:
CC(C(N)C(=O)NCC(=O)O)C(O)c1ccc(O)cn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.45 | Num_heavy_atoms: | 35 |
| TPSA: | 250.32 | 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 |
AD00859
Formula: C12H17O5N3
Smiles:
CC(C(N)C(=O)NCC(=O)O)C(O)c1ccc(O)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 283.28 | Num_heavy_atoms: | 20 |
| TPSA: | 145.77 | NumAromaticRings: | 1 |
