Glycoside
GD119966
Name:
20-hydroxy-7,18,23-tris(hydroxymethyl)-7,14,18,22-tetramethyl-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â·,²²]pentacos-3-ene-10-carboxylic acidFormula:
C38H60O11Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCC(CO)C5(CC=C3C2C1)C1(C)CC(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CCC45CAglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCC(CO)C5(CC=C3C2C1)C1(C)CC(O)C(O)C(C)(CO)C1CCC45CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 692.89 | Num_heavy_atoms: | 49 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD48143
Formula: C33H52O7
Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCC(CO)C5(CC=C3C2C1)C1(C)CC(O)C(O)C(C)(CO)C1CCC45C| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 560.77 | Num_heavy_atoms: | 40 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
