Glycoside
GD155667
Name:
2-{[2-({21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-19,23-dioxaheptacyclo[13.10.0.0²,¹².0âµ,¹â°.0¹â°,¹².0¹â¶,²â´.0¹â¸,²²]pentacosan-7-yl}oxy)-3,5-dihydroxyoxan-4-yl]oxy}oxane-3,4,5-triolFormula:
C40H64O13Smiles:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)CCC56CC46CCC3(C)C21Aglycone:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C21Sugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD17609
Formula: C30H48O5
Smiles:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C21| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
