Glycoside
GD125831
Name:
methyl 11-{[3-({3,4-dihydroxy-5-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecanoateFormula:
C47H84O25Smiles:
CCCCCC(CCCCCCCCCC(=O)OC)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OAglycone:
CCCCCC(O)CCCCCCCCCC(=O)OCSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 26 |
| MolWt: | 1049.16 | Num_heavy_atoms: | 72 |
| TPSA: | 381.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD07458
Formula: C17H34O3
Smiles:
CCCCCC(O)CCCCCCCCCC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 14 |
| MolWt: | 286.46 | Num_heavy_atoms: | 20 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD05623
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O