Glycoside
GD132516
Name:
1-(7-{[2-({6-[(4,6-dihydroxy-2-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,3a,3b-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)ethyl benzoateFormula:
C46H70O20Smiles:
CC1OC(O)CC(O)C1OC1OC(COC2(OC3CCC4(C)C(CCC5(O)C4CCC4(C)C(C(C)OC(=O)c6ccccc6)CC(O)C45O)C3)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(OC(=O)c1ccccc1)C1CC(O)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12OSugarmoiety:
CC1OC(O)CC(O)C1OC1OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.85 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 943.05 | Num_heavy_atoms: | 66 |
| TPSA: | 324.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD48428
Formula: C28H40O6
Smiles:
CC(OC(=O)c1ccccc1)C1CC(O)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 472.62 | Num_heavy_atoms: | 34 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
