Glycoside
GD123494
Name:
[2-(heptadec-7-enoyloxy)-3-(hexadec-7-enoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C54H97O23PSmiles:
CCCCCCCCC=CCCCCCC(=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)CCCCCC=CCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 41 |
| MolWt: | 1145.32 | Num_heavy_atoms: | 78 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD49843
Formula: C42H77O13P
Smiles:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 7.67 | Num_rotatable_bonds: | 35 |
| MolWt: | 821.04 | Num_heavy_atoms: | 56 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
