Glycoside
GD136609
Name:
2-{[3,5-dihydroxy-2-({14-hydroxy-15-[1-(4-hydroxy-5,5-dimethyloxolan-2-yl)ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O14Smiles:
CC(C1CC(O)C(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)CCC45CC35CCC12CAglycone:
CC(C1CC(O)C(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD55232
Formula: C30H50O4
Smiles:
CC(C1CC(O)C(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C| 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 |
