Glycoside
GD015761
Name:
NoneFormula:
C35H47O10NSSmiles:
CO[C@@]12C=C[C@](C)(O1)[C@H](OC(=O)C=Cc1csc(C)n1)C[C@@H]1C(C)=CC[C@H](C(C)C)[C@H]1C=C2COC1OCC(O)C(O)C1OC(C)=OAglycone:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1csc(C)n1)CC1C(C)=CCC(C(C)C)C1C=C2COSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 673.83 | Num_heavy_atoms: | 47 |
| TPSA: | 142.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD11416
Formula: C28H37O5NS
Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1csc(C)n1)CC1C(C)=CCC(C(C)C)C1C=C2CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 499.67 | Num_heavy_atoms: | 35 |
| TPSA: | 77.88 | NumAromaticRings: | 1 |
