Glycoside
GD000631
Name:
NoneFormula:
C34H54O12Smiles:
C[C@@H]1[C@H](OC[C@H](O)[C@H](O)CO[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@]24OO3Aglycone:
CC1CCC2C(C)COC3OC4(C)CCC1C32OO4.CC1CCC2C(C)COC3OC4(C)CCC1C32OO4Sugarmoiety:
OOCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 10 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 654.79 | Num_heavy_atoms: | 46 |
| TPSA: | 132.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD00687
Formula: C15H24O4
Smiles:
CC1CCC2C(C)COC3OC4(C)CCC1C32OO4| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 36.92 | NumAromaticRings: | 0 |
