Glycoside
GD134515
Name:
(1-oxo-2,3-dihydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-3-methyl-2-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)butanoateFormula:
C21H31O10NSmiles:
CC(C)C(O)(C(=O)OCc1ccn2c1C(=O)CC2)C(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)C(O)(C(=O)OCc1ccn2c1C(=O)CC2)C(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.48 | Num_heavy_atoms: | 32 |
| TPSA: | 167.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD54413
Formula: C15H21O5N
Smiles:
CC(C)C(O)(C(=O)OCc1ccn2c1C(=O)CC2)C(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.33 | Num_heavy_atoms: | 21 |
| TPSA: | 88.76 | NumAromaticRings: | 1 |
