Glycoside
GD125325
Name:
{6-[(2-{4-[2-(dimethylamino)ethyl]phenoxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C31H41O12NSmiles:
CC1OC(Oc2ccc(CCN(C)C)cc2)C(O)C(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)C1OAglycone:
CN(C)CCc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 619.66 | Num_heavy_atoms: | 44 |
| TPSA: | 187.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD48124
Formula: C10H15ON
Smiles:
CN(C)CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.24 | Num_heavy_atoms: | 12 |
| TPSA: | 23.47 | NumAromaticRings: | 1 |
