Glycoside
GD016598
Name:
NoneFormula:
C48H76O18Smiles:
COC(=O)C1OC(OC2CC[C@]3(C)C(CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)OC5OC(CO)C(O)C(O)C5O)CC[C@]34C)C2(C)C)C(O)C(O)C1O[C@@H]1OCC(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 941.12 | Num_heavy_atoms: | 66 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00086
Formula: C30H48O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
