Glycoside
GD147535
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-yl 2-hydroxyacetateFormula:
C44H72O16Smiles:
CC1OC(OC2C(OC3CCC45CC46CCC4(C)C(C7(C)CCC(C(C)(C)O)O7)C(OC(=O)CO)CC4(C)C6CC(O)C5C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2C(OC(=O)CO)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: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 857.04 | Num_heavy_atoms: | 60 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD59079
Formula: C32H52O7
Smiles:
CC(C)(O)C1CCC(C)(C2C(OC(=O)CO)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.76 | Num_heavy_atoms: | 39 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
