Glycoside
GD127898
Name:
[3-(heptadec-7-enoyloxy)-2-(pentadecanoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C47H87O18PSmiles:
CCCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 38 |
| MolWt: | 971.17 | Num_heavy_atoms: | 66 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD51803
Formula: C41H77O13P
Smiles:
CCCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 7.5 | Num_rotatable_bonds: | 35 |
| MolWt: | 809.03 | Num_heavy_atoms: | 55 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
