Glycoside
GD107943
Name:
1-[14-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-6-yl]ethan-1-oneFormula:
C35H56O12Smiles:
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]45O[C@@]46CC[C@@H](C(C)=O)[C@@]6(C)[C@H](O)[C@@H](O)[C@H]35)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OAglycone:
CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(O)C(O)C13CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 668.82 | Num_heavy_atoms: | 47 |
| TPSA: | 165.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD14841
Formula: C21H32O5
Smiles:
CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(O)C(O)C13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 90.29 | NumAromaticRings: | 0 |
