Glycoside
GD115958
Name:
1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-{[8-(2-octylcyclopropyl)octanoyl]oxy}propan-2-yl octadec-9-enoateFormula:
C58H104O20Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1CC1CCCCCCCC)COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1CC1CCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 43 |
| MolWt: | 1121.45 | Num_heavy_atoms: | 78 |
| TPSA: | 310.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD16712
Formula: C40H74O5
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1CC1CCCCCCCC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 11.59 | Num_rotatable_bonds: | 34 |
| MolWt: | 635.03 | Num_heavy_atoms: | 45 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
