Glycoside
GD122030
Name:
2-({9-hydroxy-15-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)oxane-3,4,5-triolFormula:
C35H58O8Smiles:
CC(C)(O)C1COC(C)(C2CCC3(C)C4CC(O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)C1Aglycone:
CC(C)(O)C1COC(C)(C2CCC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 606.84 | Num_heavy_atoms: | 43 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD49151
Formula: C30H50O4
Smiles:
CC(C)(O)C1COC(C)(C2CCC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
