Glycoside
GD037406
Name:
NoneFormula:
C29H40O10N4Smiles:
CC(C)(C)OC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)C1Aglycone:
CC(C)(C)OC(=O)C(NC(=O)OCc1ccccc1)C(O)C1CCC(n2ccc(=O)[nH]c2=O)C1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 604.66 | Num_heavy_atoms: | 43 |
| TPSA: | 204.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD23569
Formula: C24H31O7N3
Smiles:
CC(C)(C)OC(=O)C(NC(=O)OCc1ccccc1)C(O)C1CCC(n2ccc(=O)[nH]c2=O)C1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.53 | Num_heavy_atoms: | 34 |
| TPSA: | 139.72 | NumAromaticRings: | 2 |
