Glycoside
GD132417
Name:
10-{[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-18-hydroxy-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]tetracosan-22-oneFormula:
C41H66O13Smiles:
CC1(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C2O)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)CAglycone:
CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48686
Formula: C30H48O4
Smiles:
CC1(CO)CCCC2(C)C1CCC1(C)C2CCC2C1(C)CCC1(O)C3CCC21C(=O)OC3(C)C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
