Glycoside
GD152310
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-{1-hydroxy-20-[2-(18-methyl-17-oxohexatriacontyl)cyclopropyl]icosyl}hexacosanoateFormula:
C98H188O14Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 25.27 | Num_rotatable_bonds: | 85 |
| MolWt: | 1590.57 | Num_heavy_atoms: | 112 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD60657
Formula: C87H170O4
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.98 |
| AlogP: | 30.28 | Num_rotatable_bonds: | 80 |
| MolWt: | 1280.31 | Num_heavy_atoms: | 91 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
