Glycoside
GD128787
Name:
3,7,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-15-oxapentacyclo[7.5.1.0¹,â¶.0â·,¹³.0¹â°,¹â´]pentadecane-2,6,9,11,13,14-hexolFormula:
C26H42O13Smiles:
CC1CCC2(O)C3(C)CC4(O)OC2(C1O)C1(O)C3(O)CC(O)(C(C)COC2OC(CO)C(O)C(O)C2O)C41CAglycone:
CC1CCC2(O)C3(C)CC4(O)OC2(C1O)C1(O)C3(O)CC(O)(C(C)CO)C41CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.61 | Num_heavy_atoms: | 39 |
| TPSA: | 229.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD52170
Formula: C20H32O8
Smiles:
CC1CCC2(O)C3(C)CC4(O)OC2(C1O)C1(O)C3(O)CC(O)(C(C)CO)C41C| HBA: | 8 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 400.47 | Num_heavy_atoms: | 28 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
