Glycoside
GD031939
Name:
NoneFormula:
C51H80O16N2Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CC(OC(=O)c2ccccc2)C(=O)NC(C)(C)C)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(OC(=O)c2ccccc2)C(=O)NC(C)(C)C)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 14 |
| MolWt: | 977.2 | Num_heavy_atoms: | 69 |
| TPSA: | 238.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD20530
Formula: C35H51O9N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(OC(=O)c2ccccc2)C(=O)NC(C)(C)C)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 629.79 | Num_heavy_atoms: | 45 |
| TPSA: | 159.46 | NumAromaticRings: | 1 |
