Glycoside
GD119263
Name:
7-[(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-11a-methyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carboxylic acidFormula:
C38H62O13Smiles:
CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C6O)C5O)CCC4(C(=O)O)C3CCC12CAglycone:
CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C(=O)O)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 12 |
| MolWt: | 726.9 | Num_heavy_atoms: | 51 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD46996
Formula: C27H44O4
Smiles:
CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C(=O)O)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
