Glycoside
GD006076
Name:
NoneFormula:
C30H48O18Smiles:
C[C@]1(O)C[C@H](O)[C@@H]2C[C@H](O[C@@H]3C[C@@](C)(O)[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)OC=C[C@H]43)O[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(O)CC(OC2CC3C(O)CC(C)(O)C3C(O)O2)C2C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -4.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 696.7 | Num_heavy_atoms: | 48 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD05062
Formula: C18H28O8
Smiles:
CC1(O)CC(OC2CC3C(O)CC(C)(O)C3C(O)O2)C2C=COC(O)C21| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 372.41 | Num_heavy_atoms: | 26 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
