Glycoside
GD116774
Name:
[2-(hexadecanoyloxy)-3-(octadec-11-enoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C55H101O23PSmiles:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 43 |
| MolWt: | 1161.36 | Num_heavy_atoms: | 79 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD46444
Formula: C43H81O13P
Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 8.28 | Num_rotatable_bonds: | 37 |
| MolWt: | 837.08 | Num_heavy_atoms: | 57 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
