Glycoside
GD017584
Name:
NoneFormula:
C46H73O16NSSmiles:
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](CCOS(=O)(=O)c2ccc(C)cc2)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(CCOS(=O)(=O)c2ccc(C)cc2)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: | 17 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 14 |
| MolWt: | 928.15 | Num_heavy_atoms: | 64 |
| TPSA: | 226.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD00501
Formula: C30H44O9S
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOS(=O)(=O)c2ccc(C)cc2)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.74 | Num_heavy_atoms: | 40 |
| TPSA: | 147.43 | NumAromaticRings: | 1 |
