Glycoside
GD017801
Name:
2,3,4,6-tetrahydroxy-5-methylhexyl 15-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyldocosa-4,8,12-trienoateFormula:
C47H84O16Smiles:
CC[C@H](C)C[C@H](C)C[C@H](C)[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](C)COAglycone:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=O.COC(C)=OSugarmoiety:
CC(CO)C(O)C(O)C(O)COO.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 27 |
| MolWt: | 905.17 | Num_heavy_atoms: | 63 |
| TPSA: | 273.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD06969
Formula: C32H58O5
Smiles:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 17 |
| MolWt: | 522.81 | Num_heavy_atoms: | 37 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
