Glycoside
GD153803
Name:
4,5-dihydroxy-2-({14-hydroxy-15-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)oxan-3-yl acetateFormula:
C42H68O14Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C6(C)CC(C(C)(C)O)CO6)C(O)CC3(C)C5CC(OC3OCC(O)C(O)C3O)C4C2(C)C)OCC(O)C1OAglycone:
CC(C)(O)C1COC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)C1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD47958
Formula: C30H50O5
Smiles:
CC(C)(O)C1COC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
