Glycoside
GD013587
Name:
4,5-dihydroxy-6-methyl-2-({1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4-yl}oxy)oxan-3-yl 2-methylbutanoateFormula:
C26H44O6Smiles:
CCC(C)C(=O)O[C@@H]1[C@H](O[C@@]2(C)CC[C@@H]3[C@H]([C@H]4[C@H](C)CC[C@H]42)C3(C)C)O[C@H](C)[C@H](O)[C@H]1OAglycone:
CC1CCC2C1C1C(CCC2(C)O)C1(C)C.CCC(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.63 | Num_heavy_atoms: | 32 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02650
Formula: C15H26O
Smiles:
CC1CCC2C1C1C(CCC2(C)O)C1(C)C| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
