Glycoside
GD130036
Name:
2-{[14,17-dihydroxy-16-(hydroxymethyl)-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9,9,12-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}oxane-3,4,5-triolFormula:
C35H58O10Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(C)(C)C5CC(OC6OCC(O)C(O)C6O)CCC56CC46CC(O)C23CO)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(C)(C)C5CC(O)CCC56CC46CC(O)C23CO)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 638.84 | Num_heavy_atoms: | 45 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD52687
Formula: C30H50O6
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(C)(C)C5CC(O)CCC56CC46CC(O)C23CO)O1| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 506.72 | Num_heavy_atoms: | 36 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
