Glycoside
GD124697
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H72O11Smiles:
C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)C(C)CAglycone:
C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(C)CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 765.04 | Num_heavy_atoms: | 54 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD50392
Formula: C31H52O
Smiles:
C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(C)C| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 8.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.76 | Num_heavy_atoms: | 32 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
