Glycoside
GD093452
Name:
NoneFormula:
C20H26O10N5Smiles:
C[C@@H]([C@H]([NH3+])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([NH3+])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: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.45 | Num_heavy_atoms: | 35 |
| TPSA: | 251.94 | 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 |
AD40413
Formula: C12H18O5N3
Smiles:
CC(C([NH3+])C(=O)NCC(=O)O)C(O)c1ccc(O)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 284.29 | Num_heavy_atoms: | 20 |
| TPSA: | 147.39 | NumAromaticRings: | 1 |
