Glycoside
GD030002
Name:
NoneFormula:
C37H58O12Smiles:
CC(=O)O[C@H]1[C@H]2[C@]3(C)CC[C@@](C(C)(C)O)(OC[C@]24CC[C@@]25C[C@]26CC[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]6C[C@@H](O)[C@H]5[C@@]4(C)[C@H]1O)O3Aglycone:
CC(=O)OC1C2C3(C)CCC(C(C)(C)O)(OCC24CCC25CC26CCC(O)C(C)(C)C6CC(O)C5C4(C)C1O)O3Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 694.86 | Num_heavy_atoms: | 49 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD19450
Formula: C32H50O8
Smiles:
CC(=O)OC1C2C3(C)CCC(C(C)(C)O)(OCC24CCC25CC26CCC(O)C(C)(C)C6CC(O)C5C4(C)C1O)O3| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 562.74 | Num_heavy_atoms: | 40 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
