Glycoside
GD130346
Name:
2-{[15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-4,5-dihydroxyoxan-3-yl acetateFormula:
C43H72O14Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C(C)CCC(O)C(C)(C)O)CCC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)OCC(O)C1OAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 813.04 | Num_heavy_atoms: | 57 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD52819
Formula: C30H52O4
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
