Glycoside
GD143594
Name:
2-{9-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-hydroxy-3,8,8,17,19,21,22-heptamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-22-yl}propan-2-yl acetateFormula:
C45H72O15Smiles:
CC(=O)OC(C)(C)C1(C)OC23OC1(C)CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(OC6OC(CO)C(O)C(O)C6O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC(=O)OC(C)(C)C1(C)OC23OC1(C)CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 853.06 | Num_heavy_atoms: | 60 |
| TPSA: | 223.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD57746
Formula: C34H54O6
Smiles:
CC(=O)OC(C)(C)C1(C)OC23OC1(C)CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 558.8 | Num_heavy_atoms: | 40 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
