Glycoside
GD013977
Name:
2,3a,5a-trihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C30H42O11Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@H](c6ccc(=O)oc6)[C@H](O)C[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CC(O)C2c1ccc(=O)oc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 578.66 | Num_heavy_atoms: | 41 |
| TPSA: | 187.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD10357
Formula: C24H32O7
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CC(O)C2c1ccc(=O)oc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.51 | Num_heavy_atoms: | 31 |
| TPSA: | 128.2 | NumAromaticRings: | 1 |
