Glycoside
GD019409
Name:
2-{[6-({19-hydroxy-3,13,18-trimethyl-12,20-dioxahexacyclo[11.6.1.0²,¹¹.0³,â¸.0¹¹,¹â·.0¹â´,¹â¸]icosan-6-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxane-3,5-diolFormula:
C35H56O11Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3CC[C@@]4(C)[C@H]5C6OC7(C)O[C@@]5(CC[C@@H]4C3)[C@@H]3CC[C@@H]7[C@@]3(C)[C@H]6O)C[C@H]2OC)[C@@H]1OAglycone:
CC12OC3C4C5(C)CCC(O)CC5CCC4(O1)C1CCC2C1(C)C3OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 652.82 | Num_heavy_atoms: | 46 |
| TPSA: | 134.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD13551
Formula: C21H32O4
Smiles:
CC12OC3C4C5(C)CCC(O)CC5CCC4(O1)C1CCC2C1(C)C3O| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 0 |
| MolWt: | 348.48 | Num_heavy_atoms: | 25 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
