Glycoside
GD133567
Name:
{2-[(10-methyloctadecanoyl)oxy]-3-(tetradecanoyloxy)propoxy}({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C54H101O23PSmiles:
CCCCCCCCCCCCCC(=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)CCCCCCCCC(C)CCCCCCCCAglycone:
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCC(C)CCCCCCCCSugarmoiety:
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: | 3.62 | Num_rotatable_bonds: | 42 |
| MolWt: | 1149.35 | Num_heavy_atoms: | 78 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD54052
Formula: C42H81O13P
Smiles:
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCC(C)CCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 7.97 | Num_rotatable_bonds: | 36 |
| MolWt: | 825.07 | Num_heavy_atoms: | 56 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
