Glycoside
GD018168
Name:
NoneFormula:
C33H34O12N4Smiles:
COc1ccccc1[C@@H]1N[C@](C)(COC(=O)CC(=O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12Aglycone:
COC(=O)CC(=O)OCC1(C)NC(c2ccccc2OC)C2C(=O)N(c3ccccc3)C(=O)C21.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 678.65 | Num_heavy_atoms: | 49 |
| TPSA: | 215.79 | 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 |
AD12866
Formula: C25H26O7N2
Smiles:
COC(=O)CC(=O)OCC1(C)NC(c2ccccc2OC)C2C(=O)N(c3ccccc3)C(=O)C21| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.49 | Num_heavy_atoms: | 34 |
| TPSA: | 111.24 | NumAromaticRings: | 2 |
