Glycoside
GD010279
Name:
NoneFormula:
C47H75O12NS2Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6NC(=O)CCCCC6CCSS6)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.NC(=O)CCCCC1CCSS1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 910.25 | Num_heavy_atoms: | 62 |
| TPSA: | 185.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD00213
Formula: C8H15ONS2
Smiles:
NC(=O)CCCCC1CCSS1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 205.35 | Num_heavy_atoms: | 12 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
