Glycoside
GD133774
Name:
2-[(5-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2,4-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C46H78O14Smiles:
CCC(CCC(C)C1CCC2C3CCC4=CC(OC5C(COC6OCC(O)C(O)C6O)OC(O)C(OC6OC(C)C(O)C(O)C6O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(CCC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 855.12 | Num_heavy_atoms: | 60 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD47995
Formula: C29H50O
Smiles:
CCC(CCC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.72 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
