Glycoside
GD154186
Name:
7-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C31H44O10Smiles:
COC1C(C)OC(OC2CCC3(C=O)C4CCC5(C)C(c6ccc(=O)oc6)CCC5(O)C4CCC3(O)C2)C(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 576.68 | Num_heavy_atoms: | 41 |
| TPSA: | 155.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD00214
Formula: C24H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 416.51 | Num_heavy_atoms: | 30 |
| TPSA: | 107.97 | NumAromaticRings: | 1 |
