Glycoside
GD124283
Name:
2-[(2-{[14,22-dihydroxy-21-(2-hydroxypropan-2-yl)-1,3,12,12,17-pentamethyl-20,24-dioxaheptacyclo[19.2.1.0²,¹â¹.0³,¹â·.0â¶,â¸.0â¶,¹â¶.0â¸,¹³]tetracosan-11-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]oxane-3,4,5-triolFormula:
C40H64O14Smiles:
CC12CC(O)C(C(C)(C)O)(OC3CC4(C)C5CC(O)C6C(C)(C)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)CCC67CC57CCC4(C)C31)O2Aglycone:
CC12CC(O)C(C(C)(C)O)(OC3CC4(C)C5CC(O)C6C(C)(C)C(O)CCC67CC57CCC4(C)C31)O2Sugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 768.94 | Num_heavy_atoms: | 54 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50198
Formula: C30H48O6
Smiles:
CC12CC(O)C(C(C)(C)O)(OC3CC4(C)C5CC(O)C6C(C)(C)C(O)CCC67CC57CCC4(C)C31)O2| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
