Glycoside
GD139438
Name:
2-[(2-{7,11-dihydroxy-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-7-hydroxy-6-methylhept-5-en-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C40H68O13Smiles:
CC(=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12C)COAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12C)COSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.97 | Num_heavy_atoms: | 53 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD56228
Formula: C29H50O4
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3CCC(O)C(C)(C)C3CCC12C)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.72 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
