Glycoside
GD020912
Name:
NoneFormula:
C31H32O9N6Smiles:
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](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21Aglycone:
CNC(=O)CNC(=O)C1(C)NC(c2ccccc2)C2C(=O)N(c3ccccc3)C(=O)C21.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.63 | Num_heavy_atoms: | 46 |
| TPSA: | 212.16 | NumAromaticRings: | 3 |
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 |
AD14358
Formula: C23H24O4N4
Smiles:
CNC(=O)CNC(=O)C1(C)NC(c2ccccc2)C2C(=O)N(c3ccccc3)C(=O)C21| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.47 | Num_heavy_atoms: | 31 |
| TPSA: | 107.61 | NumAromaticRings: | 2 |
