Glycoside
GD136226
Name:
2-[(6-{[15-(3,7-dihydroxy-6-methylhept-5-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C48H80O16Smiles:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)COAglycone:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)COSugarmoiety:
CC1OC(OCC2OC(OC3C(C)OC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 913.15 | Num_heavy_atoms: | 64 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD46200
Formula: C30H50O3
Smiles:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)CO| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
