Glycoside
GD118149
Name:
2-(hydroxymethyl)-6-({3,4,14-trihydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¸]hexadec-9-en-6-yl}oxy)oxane-3,4,5-triolFormula:
C26H42O9Smiles:
CC1=C2CCC3CC2(CC(O)C2(O)C1CC(OC1OC(CO)C(O)C(O)C1O)C2(C)C)CC3(C)OAglycone:
CC1=C2CCC3CC2(CC(O)C2(O)C1CC(O)C2(C)C)CC3(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD47210
Formula: C20H32O4
Smiles:
CC1=C2CCC3CC2(CC(O)C2(O)C1CC(O)C2(C)C)CC3(C)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
