Glycoside
GD129454
Name:
2-(hydroxymethyl)-6-({11,13,15-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-6-yl}oxy)oxane-3,4,5-triolFormula:
C26H42O9Smiles:
C=C1C(O)C23CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C2C(O)CC1(O)C3Aglycone:
C=C1C(O)C23CCC4C(C)(C)C(O)CCC4(C)C2C(O)CC1(O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD52441
Formula: C20H32O4
Smiles:
C=C1C(O)C23CCC4C(C)(C)C(O)CCC4(C)C2C(O)CC1(O)C3| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
