Glycoside
GD017052
Name:
NoneFormula:
C31H39O12N5Smiles:
COC(=O)[C@@H]1[C@H](c2ccccc2OC)N[C@](C)(C(=O)N2CCC[C@H]2C(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@@H]1C(=O)OCAglycone:
CNC(=O)C1CCCN1C(=O)C1(C)NC(c2ccccc2OC)C(C(=O)OC)C1C(=O)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 673.68 | Num_heavy_atoms: | 48 |
| TPSA: | 227.82 | 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 |
AD12217
Formula: C23H31O7N3
Smiles:
CNC(=O)C1CCCN1C(=O)C1(C)NC(c2ccccc2OC)C(C(=O)OC)C1C(=O)OC| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.52 | Num_heavy_atoms: | 33 |
| TPSA: | 123.27 | NumAromaticRings: | 1 |
