Glycoside
GD036434
Name:
NoneFormula:
C37H58O9Smiles:
CO[C@@H]1O[C@H]([C@@H]2OC[C@]3(C)[C@H](CC[C@@]4(C)[C@@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]43)O2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OCOCC6(C)C5CCC43C)C2C1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD18491
Formula: C31H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OCOCC6(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
