Glycoside
GD122393
Name:
5,7-dihydroxy-2-{3-hydroxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C33H41O17NSmiles:
CC1OC(OCC2OC(Oc3c(-c4ccc(OCCN5CCOCC5)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(OCCN3CCOCC3)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 723.68 | Num_heavy_atoms: | 51 |
| TPSA: | 270.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD49315
Formula: C21H21O8N
Smiles:
O=c1c(O)c(-c2ccc(OCCN3CCOCC3)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.4 | Num_heavy_atoms: | 30 |
| TPSA: | 132.83 | NumAromaticRings: | 3 |
