Glycoside
GD133097
Name:
2-{[2,11-dihydroxy-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}oxane-3,4,5-triolFormula:
C35H56O10Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25C(O)CC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25C(O)CC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD53883
Formula: C30H48O6
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25C(O)CC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
