Glycoside
GD117141
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-{1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl}hexacosanoateFormula:
C97H188O14Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(OC)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: | 0.99 |
| AlogP: | 24.94 | Num_rotatable_bonds: | 84 |
| MolWt: | 1578.56 | Num_heavy_atoms: | 111 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD46659
Formula: C86H170O4
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.99 |
| AlogP: | 29.94 | Num_rotatable_bonds: | 79 |
| MolWt: | 1268.3 | Num_heavy_atoms: | 90 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
