Glycoside
GD110574
Name:
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C31H44O9Smiles:
CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](c5ccc(=O)oc5)CC[C@]43O)C2)[C@H]1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.68 | Num_heavy_atoms: | 40 |
| TPSA: | 135.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD03631
Formula: C24H32O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
