Glycoside
GD014414
Name:
1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C35H50O12Smiles:
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C=C[C@H]1[C@]2(C)C(=O)C[C@]2(C)[C@@H]([C@@](C)(O)C(=O)CCC(C)(C)O)[C@@H](O)C[C@@]12CAglycone:
Cc1c(O)c(O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 662.77 | Num_heavy_atoms: | 47 |
| TPSA: | 214.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD10602
Formula: C29H40O7
Smiles:
Cc1c(O)c(O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.63 | Num_heavy_atoms: | 36 |
| TPSA: | 135.29 | NumAromaticRings: | 1 |
