Glycoside
GD024367
Name:
NoneFormula:
C27H33O11N5Smiles:
COC(=O)[C@H]1[C@H](C(=O)OC)[C@](C)(C(=O)NCC(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)N[C@H]1c1ccccc1Aglycone:
CNC(=O)CNC(=O)C1(C)NC(c2ccccc2)C(C(=O)OC)C1C(=O)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.59 | Num_heavy_atoms: | 43 |
| TPSA: | 227.38 | 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 |
AD16275
Formula: C19H25O6N3
Smiles:
CNC(=O)CNC(=O)C1(C)NC(c2ccccc2)C(C(=O)OC)C1C(=O)OC| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.42 | Num_heavy_atoms: | 28 |
| TPSA: | 122.83 | NumAromaticRings: | 1 |
