Glycoside
GD006701
Name:
2-({15-hydroxy-8-methoxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-18-yl}oxy)oxane-3,4,5-triolFormula:
C32H52O8Smiles:
CO[C@@H]1C[C@H](C)[C@@H]2[C@H](C[C@]3(C)[C@@H]4C[C@H](O)[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]56C[C@@]46CC[C@]23C)O1Aglycone:
COC1CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 564.76 | Num_heavy_atoms: | 40 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD05514
Formula: C27H44O4
Smiles:
COC1CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
