Glycoside
GD030496
Name:
{2-hydroxy-4,5,9,13,20,20-hexamethyl-10-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-15-en-9-yl}methyl acetateFormula:
C38H60O9Smiles:
CC(=O)OC[C@@]1(C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C=C[C@]45OC[C@]6(CCC(C)(C)C[C@@H]46)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12Aglycone:
CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC23OCC4(CCC(C)(C)CC42)C(O)CC13CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 660.89 | Num_heavy_atoms: | 47 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD19732
Formula: C32H50O5
Smiles:
CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC23OCC4(CCC(C)(C)CC42)C(O)CC13C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
