Glycoside
GD117322
Name:
2-{[9a-formyl-2,3a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetateFormula:
C31H44O11Smiles:
CC(=O)OC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CC(O)C2C1=CC(=O)OC1Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 592.68 | Num_heavy_atoms: | 42 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD45587
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CC(O)C2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
