Glycoside
GD035382
Name:
NoneFormula:
C43H64O12Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@@H]4CC=C5[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]32)O1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OCOCC6(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 6.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.97 | Num_heavy_atoms: | 55 |
| TPSA: | 160.96 | 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 |
