Glycoside
GD008310
Name:
NoneFormula:
C47H73O15NSmiles:
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]2OC(C)=O)[C@H](CCOc2ccccc2)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(CCOc2ccccc2)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1N(C)C.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 14 |
| MolWt: | 892.09 | Num_heavy_atoms: | 63 |
| TPSA: | 198.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00589
Formula: C29H42O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.65 | Num_heavy_atoms: | 36 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
