Glycoside
GD138753
Name:
9-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-18-hydroxy-10-(hydroxymethyl)-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]tetracosan-22-oneFormula:
C42H68O15Smiles:
CC1(C)OC(=O)C23CCC1C2(O)CCC1(C)C3CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(CO)C3CCC21CAglycone:
CC1(C)OC(=O)C23CCC1C2(O)CCC1(C)C3CCC2C3(C)CCC(O)C(C)(CO)C3CCC21CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 812.99 | Num_heavy_atoms: | 57 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD55979
Formula: C30H48O5
Smiles:
CC1(C)OC(=O)C23CCC1C2(O)CCC1(C)C3CCC2C3(C)CCC(O)C(C)(CO)C3CCC21C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
