Glycoside
GD150283
Name:
SubulinFormula:
C28H32O16Smiles:
COc1cc(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)cc2c1C(=O)C(=Cc1cc(O)c(O)c(O)c1)O2Aglycone:
COc1cc(O)cc2c1C(=O)C(=Cc1cc(O)c(O)c(O)c1)O2Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD60044
Formula: C16H12O7
Smiles:
COc1cc(O)cc2c1C(=O)C(=Cc1cc(O)c(O)c(O)c1)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
