Glycoside
GD127775
Name:
17-(benzyloxy)-8,19-bis(hydroxymethyl)-2,8,15,19-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]pentacos-11-ene-5-carboxylic acidFormula:
C44H64O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CO)C(OC6OCC(O)C(O)C6O)C(OCc6ccccc6)CC3(C)C45)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CO)C(O)C(OCc6ccccc6)CC3(C)C45)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 752.99 | Num_heavy_atoms: | 54 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD51751
Formula: C39H56O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4CCCC35CCC3C(C)(CO)C(O)C(OCc6ccccc6)CC3(C)C45)C2C1| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 620.87 | Num_heavy_atoms: | 45 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
