Glycoside
GD033017
Name:
NoneFormula:
C48H82O16N2Smiles:
CCCC(=O)OC(C[C@@H]1C[C@H](C)C(=O)C=CC(C)=C[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC)[C@H](CC)OC(=O)C[C@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]1O)C(=O)NC(C)(C)CAglycone:
CCCC(=O)OC(CC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)C(=O)NC(C)(C)CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 15 |
| MolWt: | 943.18 | Num_heavy_atoms: | 66 |
| TPSA: | 238.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD21105
Formula: C32H53O9N
Smiles:
CCCC(=O)OC(CC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)C(=O)NC(C)(C)C| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 595.77 | Num_heavy_atoms: | 42 |
| TPSA: | 159.46 | NumAromaticRings: | 0 |
