Glycoside
GD157170
Name:
9,20-dihydroxy-7,18-bis(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:
C37H58O11Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)CC(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CCC45CAglycone:
CC1(CO)CC(O)C2(C(=O)O)CCC34CCCC5(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: | 2.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD62166
Formula: C32H50O7
Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)CC(O)C(O)C(C)(CO)C1CCC45C| HBA: | 7 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
