Glycoside
GD002080
Name:
Aloinoside BFormula:
C27H32O13Smiles:
C[C@@H]1O[C@H](OCc2cc(O)c3c(c2)[C@H]([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00446
Formula: C15H12O4
Smiles:
O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
