Glycoside
GD018849
Name:
NoneFormula:
C39H59O12NSmiles:
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](CCOc2ccc(OC(C)=O)cc2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccc(OC(C)=O)cc2)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 733.9 | Num_heavy_atoms: | 52 |
| TPSA: | 181.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD02730
Formula: C31H44O9
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccc(OC(C)=O)cc2)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.68 | Num_heavy_atoms: | 40 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
