Glycoside
GD129317
Name:
4-{[6-({6-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]amino}-6-(hydroxymethyl)cyclohexane-1,2,3,5-tetrolFormula:
C31H55O23NSmiles:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OCC(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C(O)C(O)C(O)C(CO)C1OAglycone:
NC1C(O)C(O)C(O)C(CO)C1OSugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OCC(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -11.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 809.77 | Num_heavy_atoms: | 55 |
| TPSA: | 400.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD49231
Formula: C7H15O5N
Smiles:
NC1C(O)C(O)C(O)C(CO)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 193.2 | Num_heavy_atoms: | 13 |
| TPSA: | 127.17 | NumAromaticRings: | 0 |
