Glycoside
GD140740
Name:
3,4-dihydroxy-6-{[6-hydroxy-19-(hydroxymethyl)-1,2,5,8,8,15,19-heptamethyl-3-oxapentacyclo[12.8.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]docos-11-en-18-yl]oxy}-6-methyl-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C41H66O15Smiles:
CC1(C)CC(O)C2(C)COC3(C)C(=CCC4C5(C)CCC(OC6(C)OC(C(=O)O)C(O)C(O)C6OC6OC(O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CC(O)C2(C)COC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1(O)OC(C(=O)O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 798.96 | Num_heavy_atoms: | 56 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD56742
Formula: C29H48O4
Smiles:
CC1(C)CC(O)C2(C)COC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
