Glycoside
GD018614
Name:
NoneFormula:
C39H67O13NSmiles:
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)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:
CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 757.96 | Num_heavy_atoms: | 53 |
| TPSA: | 182.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD02950
Formula: C23H38O6
Smiles:
CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.55 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
