Glycoside
GD148744
Name:
2,3a,5a,7-tetrahydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C30H44O11Smiles:
COC1CC(OC2(O)CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)C(O)CC5(O)C4CCC3(O)C2)OC(C)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)(O)CCC34C=O)C1(O)CC(O)C2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 580.67 | Num_heavy_atoms: | 41 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD59513
Formula: C23H32O8
Smiles:
CC12CCC3C(CCC4(O)CC(O)(O)CCC34C=O)C1(O)CC(O)C2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 436.5 | Num_heavy_atoms: | 31 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
