Glycoside
GD018832
Name:
NoneFormula:
C23H28O9Smiles:
CC1=CC(=O)[C@@H]2C[C@@]1(O[C@@H]1O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]1O)C2(C)COAglycone:
CC1=CC(=O)C2CC1(O)C2(C)CO.COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.47 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD13214
Formula: C10H14O3
Smiles:
CC1=CC(=O)C2CC1(O)C2(C)CO| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
