Glycoside
GD110655
Name:
6-{[9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-(acetyloxy)-2-methyloxan-3-yl acetateFormula:
C33H46O11Smiles:
CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]1OC(C)=OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.72 | Num_heavy_atoms: | 44 |
| TPSA: | 154.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD00229
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
