Glycoside
GD032997
Name:
3a,5a,10-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C29H42O11Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4[C@H](CC[C@@]3(O)C2)[C@]2(O)CC[C@@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD02817
Formula: C23H32O7
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
