Glycoside
GD146657
Name:
3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-(hexadecanoyloxy)propyl octadec-9-enoateFormula:
C49H90O15Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC(CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(=O)OC(CCO)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 6.95 | Num_rotatable_bonds: | 39 |
| MolWt: | 919.24 | Num_heavy_atoms: | 64 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD58785
Formula: C37H70O5
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC(CCO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 11.3 | Num_rotatable_bonds: | 33 |
| MolWt: | 594.96 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
