Glycoside
GD028049
Name:
NoneFormula:
C39H60O12Smiles:
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H]2[C@](C)(CCC(=O)C(C)(C)O)OC[C@]23CC[C@@]24C[C@]25CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC[C@H]4[C@]13CAglycone:
CC(=O)OC1C2C(C)(CCC(=O)C(C)(C)O)OCC23CCC24CC25CCC(O)C(C)(C)C5CCC4C3(C)C1OC(C)=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 720.9 | Num_heavy_atoms: | 51 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD18363
Formula: C34H52O8
Smiles:
CC(=O)OC1C2C(C)(CCC(=O)C(C)(C)O)OCC23CCC24CC25CCC(O)C(C)(C)C5CCC4C3(C)C1OC(C)=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 588.78 | Num_heavy_atoms: | 42 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
