Glycoside
GD117142
Name:
N-{1-[(4-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxyoctadecan-2-yl}-2-hydroxytetracosanamideFormula:
C62H118O20N2Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(O)C2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.97 |
| AlogP: | 6.15 | Num_rotatable_bonds: | 49 |
| MolWt: | 1211.62 | Num_heavy_atoms: | 84 |
| TPSA: | 363.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD45255
Formula: C42H85O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.69 | Num_rotatable_bonds: | 39 |
| MolWt: | 684.14 | Num_heavy_atoms: | 48 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
