Glycoside
GD157948
Name:
2-{[4-hydroxy-15-(1-hydroxy-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O14Smiles:
CC(=CCCC(CO)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CC(O)C45CC35CCC12C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCCC(CO)C1CCC2(C)C3CCC4C(C)(C)C(O)CC(O)C45CC35CCC12C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 12 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD62386
Formula: C30H50O4
Smiles:
CC(=CCCC(CO)C1CCC2(C)C3CCC4C(C)(C)C(O)CC(O)C45CC35CCC12C)CO| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
