Glycoside
GD158390
Name:
2-{[6-({9,13-dihydroxy-14-[5-(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)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C42H70O14Smiles:
CC1OC(OC2C(CO)OC(OC3CCC45CC46CCC4(C)CC(C7(C)CCC(C(C)(C)O)O7)C(O)C4(C)C6CC(O)C5C3(C)C)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2CC3(C)CCC45CC46CCC(O)C(C)(C)C6C(O)CC5C3(C)C2O)O1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD47628
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2CC3(C)CCC45CC46CCC(O)C(C)(C)C6C(O)CC5C3(C)C2O)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 |
