Glycoside
GD116428
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-oneFormula:
C42H68O14Smiles:
CC1OC(OC2C(OC3CCC45CC46CCC4(C)C(C7(C)CCC(C(C)(C)O)O7)C(=O)CC4(C)C6CC(O)C5C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2C(=O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD46228
Formula: C30H48O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(=O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
