Glycoside
GD147517
Name:
2-[(9-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-14-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-6-yl)oxy]-4,5-dihydroxyoxan-3-yl acetateFormula:
C45H72O15Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OC(C)C(O)C(O)C3OC(C)=O)C4C2(C)C)OCC(O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1O.CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 853.06 | Num_heavy_atoms: | 60 |
| TPSA: | 220.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD04921
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
