Glycoside
GD126219
Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 2-methyl-6-{5,9,17-trimethyl-11,16-dioxo-18-oxapentacyclo[10.5.2.0¹,¹³.0â´,¹².0âµ,â¹]nonadecan-8-yl}hept-2-enoateFormula:
C41H62O15Smiles:
CC(=CCCC(C)C1CCC2(C)C3CCC45OCC3(C(=O)CC12C)C4CCC(=O)C5C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=CCCC(C)C1CCC2(C)C3CCC45OCC3(C(=O)CC12C)C4CCC(=O)C5C)C(=O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 794.93 | Num_heavy_atoms: | 56 |
| TPSA: | 238.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD51056
Formula: C29H42O5
Smiles:
CC(=CCCC(C)C1CCC2(C)C3CCC45OCC3(C(=O)CC12C)C4CCC(=O)C5C)C(=O)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.65 | Num_heavy_atoms: | 34 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
