Glycoside
GD119426
Name:
5-(acetyloxy)-4-hydroxy-6-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)oxan-3-yl acetateFormula:
C44H70O16Smiles:
CC(=O)OC1COC(OC2CCC34CC35CCC3C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)C(OC(C)=O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C2CCC24CC25CCC(O)C(C)(C)C5C(O)CC34)O1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 855.03 | Num_heavy_atoms: | 60 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD47844
Formula: C29H48O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C2CCC24CC25CCC(O)C(C)(C)C5C(O)CC34)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
