Glycoside
GD156585
Name:
[2,3-bis(pentadecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C51H95O23PSmiles:
CCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 40 |
| MolWt: | 1107.27 | Num_heavy_atoms: | 75 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD53898
Formula: C39H75O13P
Smiles:
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 6.94 | Num_rotatable_bonds: | 34 |
| MolWt: | 782.99 | Num_heavy_atoms: | 53 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
