Glycoside
GD125719
Name:
20-(benzyloxy)-9-hydroxy-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:
C44H64O11Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)CC(OCc2ccccc2)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CCC45CAglycone:
CC1(CO)CC(O)C2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)CC(OCc2ccccc2)C(O)C(C)(CO)C1CCC45CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 768.99 | Num_heavy_atoms: | 55 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD50854
Formula: C39H56O7
Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)CC(OCc2ccccc2)C(O)C(C)(CO)C1CCC45C| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 636.87 | Num_heavy_atoms: | 46 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
