Glycoside
GD121181
Name:
2-[(2-{[1,6-dihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,13H,13aH,13bH-cyclopenta[a]chrysen-9-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O14Smiles:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3OAglycone:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CCC(O)C(C)(C)C1CC3OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD44890
Formula: C30H50O4
Smiles:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CCC(O)C(C)(C)C1CC3O| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
