Glycoside
GD131392
Name:
2-[(7-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-ethenyl-2,4b,8,8-tetramethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C31H50O11Smiles:
C=CC1(C)C=C2CCC3C(C)(C)C(OC4OC(CO)C(O)C4O)CCC3(C)C2CC1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.73 | Num_heavy_atoms: | 42 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD49250
Formula: C20H32O2
Smiles:
C=CC1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1O| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.47 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
