Glycoside
GD143516
Name:
2-({8-ethoxy-4,7,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-14-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H64O13Smiles:
CCOC1OC2CC3(C)C4C(OC5OC(CO)C(O)C(O)C5O)CC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C2CC1CAglycone:
CCOC1OC2CC3(C)C4C(O)CC5C(C)(C)C(O)CCC56CC46CCC3(C)C2CC1CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 740.93 | Num_heavy_atoms: | 52 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD57719
Formula: C28H46O4
Smiles:
CCOC1OC2CC3(C)C4C(O)CC5C(C)(C)C(O)CCC56CC46CCC3(C)C2CC1C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
