Glycoside
GD132837
Name:
2,3a,5a-trihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C30H42O12Smiles:
CC12CCC3C(CCC4(O)CC(OC5OC(CO)C(O)C(O)C5O)CCC34C=O)C1(O)CC(O)C2c1ccc(=O)oc1Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CC(O)C2c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 594.65 | Num_heavy_atoms: | 42 |
| TPSA: | 207.35 | 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 |
