Glycoside
GD120540
Name:
5-[(2-{[9,14-dihydroxy-15-(5-hydroxy-6-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-2,3,4-trihydroxycyclohexane-1-carboxylic acidFormula:
C48H80O19Smiles:
CC(CCC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OCC(O)C(O)C5OC5CC(C(=O)O)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C.O=C(O)C1CC(O)C(O)C(O)C1OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 13 |
| MolWt: | 961.15 | Num_heavy_atoms: | 67 |
| TPSA: | 326.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD11918
Formula: C30H52O5
Smiles:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
AD46407
Formula: C7H12O6
Smiles:
O=C(O)C1CC(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 13 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
