Glycoside
GD012089
Name:
NoneFormula:
C25H27O10N5Smiles:
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]1c1ccccc1Aglycone:
CNC(=O)CN1C(=O)C2NC(c3ccccc3)C(C(=O)OC)C2C1=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 557.52 | Num_heavy_atoms: | 40 |
| TPSA: | 209.36 | 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 |
AD09136
Formula: C17H19O5N3
Smiles:
CNC(=O)CN1C(=O)C2NC(c3ccccc3)C(C(=O)OC)C2C1=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.36 | Num_heavy_atoms: | 25 |
| TPSA: | 104.81 | NumAromaticRings: | 1 |
