Glycoside
GD034485
Name:
NoneFormula:
C39H62O12SSmiles:
C[C@H]1CC[C@]2(O[C@H]3C[C@@H]4[C@@H]5CC=C6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)CC[C@@]6(C)[C@H]5CC[C@@]4(C)[C@@H]3[C@H]2C)SC1Aglycone:
CC1CCC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)SC1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 754.98 | Num_heavy_atoms: | 52 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD07127
Formula: C27H42O2S
Smiles:
CC1CCC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)SC1| HBA: | 2 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.7 | Num_heavy_atoms: | 30 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
