Glycoside
GD019904
Name:
ApterinFormula:
C20H24O10Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OAglycone:
CC(C)(O)C1Oc2ccc3ccc(=O)oc3c2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.4 | Num_heavy_atoms: | 30 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD13820
Formula: C14H14O5
Smiles:
CC(C)(O)C1Oc2ccc3ccc(=O)oc3c2C1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
