Glycoside
GD123509
Name:
2-{[2-({6-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4-methoxy-6-methyloxane-3,5-diolFormula:
C39H64O14Smiles:
C=CC1(C)C=C2CCC3C(C)(C)C(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(OC)C4O)CCC3(C)C2CC1OC1OC(C)C(O)C(OC)C1OAglycone:
C=CC1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1OSugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1C(O)C(C)OC(OC2C(O)OCC(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 195.22 | 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 |
