Glycoside
GD128980
Name:
1-{[(3-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}prop-2-enoyl)oxy]methyl}-hexahydro-1H-pyrrolizin-2-yl 2-methylbut-2-enoateFormula:
C28H37O9NSmiles:
CC=C(C)C(=O)OC1CN2CCCC2C1COC(=O)C=Cc1ccc(OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
CC=C(C)C(=O)OC1CN2CCCC2C1COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.6 | Num_heavy_atoms: | 38 |
| TPSA: | 134.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD52244
Formula: C22H27O5N
Smiles:
CC=C(C)C(=O)OC1CN2CCCC2C1COC(=O)C=Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 385.46 | Num_heavy_atoms: | 28 |
| TPSA: | 76.07 | NumAromaticRings: | 1 |
