Glycoside
GD140203
Name:
2-(hydroxymethyl)-6-[(2,3,5-trihydroxy-6-methyl-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl)oxy]oxane-3,4,5-triolFormula:
C20H35O13NSmiles:
CC1C(O)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1C(O)C(O)C(O)C(NC2C=C(CO)C(O)C(O)C2O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.9 |
| AlogP: | -6.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.49 | Num_heavy_atoms: | 34 |
| TPSA: | 253.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD56529
Formula: C14H25O8N
Smiles:
CC1C(O)C(O)C(O)C(NC2C=C(CO)C(O)C(O)C2O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -4.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.35 | Num_heavy_atoms: | 23 |
| TPSA: | 173.87 | NumAromaticRings: | 0 |
