Glycoside
GD121297
Name:
2-({14,17-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9,9,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)oxane-3,4,5-triolFormula:
C35H58O9Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(C)(C)C5CC(OC6OCC(O)C(O)C6O)CCC56CC46CC(O)C23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(C)(C)C5CC(O)CCC56CC46CC(O)C23C)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD48818
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(C)(C)C5CC(O)CCC56CC46CC(O)C23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
