Glycoside
GD033536
Name:
NoneFormula:
C71H82O25N6Smiles:
O=C(NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CNC(=O)OCc5ccccc5)[C@H](O)[C@H](O)[C@H]4NC(=O)OCc4ccccc4)[C@@H](NC(=O)OCc4ccccc4)C[C@@H](NC(=O)OCc4ccccc4)[C@H]3O)[C@H]2O)[C@H](NC(=O)OCc2ccccc2)[C@H](O)[C@H]1O)OCc1ccccc1Aglycone:
CNC(=O)OCc1ccccc1.CNC(=O)OCc1ccccc1.NC(=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)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.41 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 27 |
| MolWt: | 1419.45 | Num_heavy_atoms: | 102 |
| TPSA: | 426.97 | NumAromaticRings: | 6 |
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 |
