Glycoside
GD130366
Name:
2-{[1-(5-ethyl-6-hydroxy-6-methylhept-3-en-2-yl)-5,5a-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H58O9Smiles:
CCC(C=CC(C)C1CCC2C3=CC(O)C4(O)CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)(C)OAglycone:
CCC(C=CC(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3CCC21C)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD52829
Formula: C29H48O4
Smiles:
CCC(C=CC(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3CCC21C)C(C)(C)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
