Glycoside
GD036064
Name:
NoneFormula:
C50H60O19N4Smiles:
O=C(NC[C@@H]1O[C@H](O[C@@H]2[C@H](NC(=O)OCc3ccccc3)C[C@H](NC(=O)OCc3ccccc3)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](NC(=O)OCc4ccccc4)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OCc1ccccc1Aglycone:
CNC(=O)OCc1ccccc1.NC(=O)OCc1ccccc1.O=C(NC1CC(NC(=O)OCc2ccccc2)C(O)C(O)C1O)OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 18 |
| MolWt: | 1021.04 | Num_heavy_atoms: | 73 |
| TPSA: | 331.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD01480
Formula: C9H11O2N
Smiles:
CNC(=O)OCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD05503
Formula: C8H9O2N
Smiles:
NC(=O)OCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
AD05504
Formula: C22H26O7N2
Smiles:
O=C(NC1CC(NC(=O)OCc2ccccc2)C(O)C(O)C1O)OCc1ccccc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.46 | Num_heavy_atoms: | 31 |
| TPSA: | 137.35 | NumAromaticRings: | 2 |
