Glycoside
GD122509
Name:
2-[(3,5-dihydroxy-2-{[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}oxan-4-yl)oxy]oxane-3,4,5-triolFormula:
C40H64O13Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(OC2OCC(O)C(OC6OCC(O)C(O)C6O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD12431
Formula: C30H48O5
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
