Glycoside
GD136528
Name:
9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C31H44O12Smiles:
CC(=O)OC1CC2(O)C3CCC4(O)CC(OC5OC(C)C(O)C(O)C5O)CCC4(C=O)C3CCC2(C)C1C1=CC(=O)OC1Aglycone:
CC(=O)OC1CC2(O)C3CCC4(O)CC(O)CCC4(C=O)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 608.68 | Num_heavy_atoms: | 43 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD55193
Formula: C25H34O8
Smiles:
CC(=O)OC1CC2(O)C3CCC4(O)CC(O)CCC4(C=O)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.54 | Num_heavy_atoms: | 33 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
