Glycoside
GD130909
Name:
4,7-dihydroxy-3a,6,6,11a-tetramethyl-1-(5-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hex-4-en-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehydeFormula:
C35H56O9Smiles:
CC(C)=CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12CAglycone:
CC(C)=CC(O)C(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53052
Formula: C29H46O4
Smiles:
CC(C)=CC(O)C(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
