Glycoside
GD152425
Name:
7-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-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-4-oneFormula:
C40H62O14Smiles:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CC(=O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C21Aglycone:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CC(=O)C5C(C)(C)C(O)CCC56CC46CCC3(C)C21Sugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 766.92 | Num_heavy_atoms: | 54 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD60692
Formula: C30H46O6
Smiles:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CC(=O)C5C(C)(C)C(O)CCC56CC46CCC3(C)C21| HBA: | 6 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
