Glycoside
GD131051
Name:
4-{7-[(3,6-dimethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,5a-dihydroxy-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C42H66O18Smiles:
CC1CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)OC1OC1CCC2(CO)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2(O)C1Aglycone:
CC1CC(O)C(C)OC1OC1CCC2(CO)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2(O)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 858.97 | Num_heavy_atoms: | 60 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD53105
Formula: C30H46O8
Smiles:
CC1CC(O)C(C)OC1OC1CCC2(CO)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2(O)C1| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.69 | Num_heavy_atoms: | 38 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
