Glycoside
GD153448
Name:
2-[3-(3-{[4-(2,3-dihydroxypropyl)-2,6-dimethoxyphenyl]amino}-2-hydroxy-4-methoxyphenyl)propoxy]-6-methyloxane-3,4,5-triolFormula:
C27H39O11NSmiles:
COc1cc(CC(O)CO)cc(OC)c1Nc1c(OC)ccc(CCCOC2OC(C)C(O)C(O)C2O)c1OAglycone:
COc1cc(CC(O)CO)cc(OC)c1Nc1c(OC)ccc(CCCO)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 553.61 | Num_heavy_atoms: | 39 |
| TPSA: | 179.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD61027
Formula: C21H29O7N
Smiles:
COc1cc(CC(O)CO)cc(OC)c1Nc1c(OC)ccc(CCCO)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 407.46 | Num_heavy_atoms: | 29 |
| TPSA: | 120.64 | NumAromaticRings: | 2 |
