Glycoside
GD014287
Name:
NoneFormula:
C48H77O17NSSmiles:
COC(=O)[C@H](CCSC)NC(=O)[C@@]12CC[C@@](C)(C(=O)OC)C[C@H]1C1=CC[C@@H]3[C@]4(C)C[C@H](O)[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2Aglycone:
COC(=O)C(CCSC)NC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 13 |
| MolWt: | 972.2 | Num_heavy_atoms: | 67 |
| TPSA: | 280.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD10527
Formula: C37H59O8NS
Smiles:
COC(=O)C(CCSC)NC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 677.94 | Num_heavy_atoms: | 47 |
| TPSA: | 142.39 | NumAromaticRings: | 0 |
