Glycoside
GD141854
Name:
4-{3a-hydroxy-9a,11a-dimethyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-{[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C42H66O17Smiles:
COC1CC(OCC2OC(OCC3OC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)C(O)C(O)C3O)C(O)C(O)C2O)OC(C)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 842.97 | Num_heavy_atoms: | 59 |
| TPSA: | 252.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
