Glycoside
GD125778
Name:
Dichotomain BFormula:
C21H24O12Smiles:
CC1OC(OC23OCC(O)C2OC(=O)C32OC(=O)CC2c2ccc(O)cc2)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)cc2)C2(O1)C(=O)OC1C(O)COC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.41 | Num_heavy_atoms: | 33 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD49078
Formula: C15H14O8
Smiles:
O=C1CC(c2ccc(O)cc2)C2(O1)C(=O)OC1C(O)COC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.27 | Num_heavy_atoms: | 23 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
