Glycoside
GD020030
Name:
1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2-hydroxy-3a,6,9b,11a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-8,10-dioneFormula:
C35H52O12Smiles:
CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C[C@@H]2C1=CC[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:
CC1=C(O)C(=O)CC2C1=CCC1C2(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: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 664.79 | Num_heavy_atoms: | 47 |
| TPSA: | 211.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD13890
Formula: C29H42O7
Smiles:
CC1=C(O)C(=O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.65 | Num_heavy_atoms: | 36 |
| TPSA: | 132.13 | NumAromaticRings: | 0 |
