Glycoside
GD029083
Name:
2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C35H54O12Smiles:
Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CC[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)cc2c1CCC1C2(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: | 9 | FractionCSP3: | 0.8 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 666.81 | Num_heavy_atoms: | 47 |
| TPSA: | 217.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD18957
Formula: C29H44O7
Smiles:
Cc1c(O)c(O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)CCC(C)(C)O)C(O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.66 | Num_heavy_atoms: | 36 |
| TPSA: | 138.45 | NumAromaticRings: | 1 |
