Glycoside
GD153716
Name:
6-{[4-(acetyloxy)-6-{[3-acetamido-6-(hydroxymethyl)-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C34H55O27NSmiles:
CC(=O)OC1C(O)C(OC2C(N=C(C)O)C(OCC3OC(O)C(O)C(O)C3O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)OC(C)C1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC(=O)OC1C(O)C(OC2C(N=C(C)O)C(OCC3OC(O)C(O)C(O)C3O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)OC(C)C1OC1OC(C(=O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.91 |
| AlogP: | -9.25 | Num_rotatable_bonds: | 14 |
| MolWt: | 909.79 | Num_heavy_atoms: | 62 |
| TPSA: | 442.25 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD10153
CC(=O)OC1C(O)C(OC2C(N=C(C)O)C(OCC3OC(O)C(O)C(O)C3O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)OC(C)C1OC1OC(C(=O)O)C(O)C(O)C1O