Glycoside
GD030493
Name:
NoneFormula:
C27H36O7N4Smiles:
O=C(CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)N[C@H](Cc1ccccc1)C(=O)NCC1CCCCC1Aglycone:
CCC(=O)NC(Cc1ccccc1)C(=O)NCC1CCCCC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 528.61 | Num_heavy_atoms: | 38 |
| TPSA: | 162.75 | 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 |
AD19731
Formula: C19H28O2N2
Smiles:
CCC(=O)NC(Cc1ccccc1)C(=O)NCC1CCCCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 316.45 | Num_heavy_atoms: | 23 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
