Glycoside
GD141046
Name:
4-{3a,5a,9,9a,10-pentahydroxy-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C28H42O12Smiles:
CC1OC(OC2CC(O)C3(O)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 570.63 | Num_heavy_atoms: | 40 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD56855
Formula: C22H32O8
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 424.49 | Num_heavy_atoms: | 30 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
