Glycoside
GD126102
Name:
2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7,11-dihydroxy-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C46H78O18Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 919.11 | Num_heavy_atoms: | 64 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD51007
Formula: C29H50O4
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C3CC(O)C4C(C)(C)C(O)CCC4(C)C3CC(O)C12| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.72 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
