Glycoside
GD115012
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-{1-hydroxy-16-[2-(18-methoxy-19-methylheptatriacontan-2-yl)cyclopropyl]hexadecyl}octacosanoateFormula:
C98H190O14Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCC(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: | 25.18 | Num_rotatable_bonds: | 84 |
| MolWt: | 1592.58 | Num_heavy_atoms: | 112 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45416
Formula: C87H172O4
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)C(O)CCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.99 |
| AlogP: | 30.19 | Num_rotatable_bonds: | 79 |
| MolWt: | 1282.33 | Num_heavy_atoms: | 91 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
