Glycoside
GD020913
Name:
NoneFormula:
C21H27O12N5Smiles:
COC(=O)[C@H]1[C@@H]2C(=O)N(CC(=O)NC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)C(=O)[C@H]2N[C@H]1C(O)COAglycone:
CNC(=O)CN1C(=O)C2NC(C(O)CO)C(C(=O)OC)C2C1=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -6.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 541.47 | Num_heavy_atoms: | 38 |
| TPSA: | 249.82 | 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 |
AD14359
Formula: C13H19O7N3
Smiles:
CNC(=O)CN1C(=O)C2NC(C(O)CO)C(C(=O)OC)C2C1=O| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 329.31 | Num_heavy_atoms: | 23 |
| TPSA: | 145.27 | NumAromaticRings: | 0 |
