Glycoside
GD152591
Name:
4-{7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,11-dihydroxy-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C35H54O15Smiles:
CC1OC(OC2CCC3(CO)C(CCC4C3CC(O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12C(O)CC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 714.8 | Num_heavy_atoms: | 50 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD18209
Formula: C23H34O6
Smiles:
CC12C(O)CC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
