Glycoside
GD133507
Name:
2-(hydroxymethyl)-6-({8-methoxy-4,6,12,17,17-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)oxane-3,4,5-triolFormula:
C38H62O13Smiles:
COC1CC(C)C2C(CC3(C)C4C(OC5OC(CO)C(O)C(O)C5O)CC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1Aglycone:
COC1CC(C)C2C(CC3(C)C4C(O)CC5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 726.9 | Num_heavy_atoms: | 51 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD54031
Formula: C27H44O4
Smiles:
COC1CC(C)C2C(CC3(C)C4C(O)CC5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
