Glycoside
GD124994
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-(1-hydroxy-16-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}hexadecyl)octacosanoateFormula:
C90H172O13Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.99 |
| AlogP: | 22.58 | Num_rotatable_bonds: | 76 |
| MolWt: | 1462.35 | Num_heavy_atoms: | 103 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50422
Formula: C79H154O3
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.99 |
| AlogP: | 27.59 | Num_rotatable_bonds: | 71 |
| MolWt: | 1152.1 | Num_heavy_atoms: | 82 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
