Glycoside
GD150740
Name:
{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[(3-hydroxy-2-tetradecyloctadec-11-enoyl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl}methyl 3-hydroxy-2-tetradecyloctadec-11-enoateFormula:
C76H142O15Smiles:
CCCCCCC=CCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(COC(=O)C(CCCCCCCCCCCCCC)C(O)CCCCCCCC=CCCCCCC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCC=CCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC.CCCCCCC=CCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 16.36 | Num_rotatable_bonds: | 62 |
| MolWt: | 1295.96 | Num_heavy_atoms: | 91 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD48217
Formula: C33H64O3
Smiles:
CCCCCCC=CCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 10.48 | Num_rotatable_bonds: | 28 |
| MolWt: | 508.87 | Num_heavy_atoms: | 36 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
