Glycoside
GD121681
Name:
N-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C27H29O10NSmiles:
CC(O)=NC1C(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)c(C)oc3c2)OC(CO)C(O)C1OAglycone:
Cc1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 527.53 | Num_heavy_atoms: | 38 |
| TPSA: | 160.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD44390
Formula: C19H16O5
Smiles:
Cc1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 324.33 | Num_heavy_atoms: | 24 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
