Glycoside
GD157356
Name:
6-(1-{6-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-14-hydroxy-7-(hydroxymethyl)-7,11,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}ethyl)-3-methyl-5,6-dihydro-2H-pyran-2-oneFormula:
C42H66O14Smiles:
CC1=CCC(C(C)C2C(O)CC3(C)C2(C)CCC24CC25CCC(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(CO)C5CCC34C)OC1=OAglycone:
CC1=CCC(C(C)C2C(O)CC3(C)C2(C)CCC24CC25CCC(O)C(C)(CO)C5CCC34C)OC1=OSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD52414
Formula: C31H48O5
Smiles:
CC1=CCC(C(C)C2C(O)CC3(C)C2(C)CCC24CC25CCC(O)C(C)(CO)C5CCC34C)OC1=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
