Glycoside
GD123853
Name:
5-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)amino]-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triolFormula:
C25H43O19NSmiles:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C(O)C(O)C(O)C2(CO)OC12Aglycone:
NC1C(O)C(O)C(O)C2(CO)OC12Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -9.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 661.61 | Num_heavy_atoms: | 45 |
| TPSA: | 333.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD45438
Formula: C7H13O5N
Smiles:
NC1C(O)C(O)C(O)C2(CO)OC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.18 | Num_heavy_atoms: | 13 |
| TPSA: | 119.47 | NumAromaticRings: | 0 |
