Glycoside
GD152865
Name:
1-{3a-hydroxy-7-[(3-hydroxy-4-methoxy-6-methyl-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]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-oneFormula:
C40H66O17Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 818.95 | Num_heavy_atoms: | 57 |
| TPSA: | 263.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54583
Formula: C21H34O3
Smiles:
CC(=O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
