Glycoside
GD030719
Name:
NoneFormula:
C27H32O11N6Smiles:
C[C@]1(C(=O)NCC(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)N[C@H](C(O)CO)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21Aglycone:
CNC(=O)CNC(=O)C1(C)NC(C(O)CO)C2C(=O)N(c3ccccc3)C(=O)C21.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -4.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 616.58 | Num_heavy_atoms: | 44 |
| TPSA: | 252.62 | 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 |
AD19865
Formula: C19H24O6N4
Smiles:
CNC(=O)CNC(=O)C1(C)NC(C(O)CO)C2C(=O)N(c3ccccc3)C(=O)C21| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 148.07 | NumAromaticRings: | 1 |
