Glycoside
GD037537
Name:
NoneFormula:
C29H50O14N4Smiles:
CO[C@@H]1[C@H](CO)O[C@H](OCC[C@@](C)(O)CC(=O)N(O)CCC[C@@H]2NC(=O)[C@H](CCCN(O)C(=O)C=C(C)CCO)NC2=O)[C@H](O)[C@H]1OAglycone:
CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)CC(C)(O)CCO)NC1=O)CCOSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 19 |
| MolWt: | 678.73 | Num_heavy_atoms: | 47 |
| TPSA: | 268.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD19392
Formula: C22H38O9N4
Smiles:
CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)CC(C)(O)CCO)NC1=O)CCO| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 15 |
| MolWt: | 502.57 | Num_heavy_atoms: | 35 |
| TPSA: | 199.97 | NumAromaticRings: | 0 |
