Glycoside
GD134222
Name:
19-(benzyloxy)-4,8,17-tris(hydroxymethyl)-1,2,8,15,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracosa-11,21-diene-5-carboxylic acidFormula:
C45H64O11Smiles:
CC1(CO)CCC2(C(=O)O)C(CO)CC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(OC3OCC(O)C(O)C3O)C6OCc3ccccc3)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)C(CO)CC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(O)C6OCc3ccccc3)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 781.0 | Num_heavy_atoms: | 56 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD54301
Formula: C40H56O7
Smiles:
CC1(CO)CCC2(C(=O)O)C(CO)CC3(C)C(=CCC4C5(C)C6C=CC(CC43C)C5C(C)(CO)C(O)C6OCc3ccccc3)C2C1| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.88 | Num_heavy_atoms: | 47 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
