Glycoside
GD123184
Name:
3-[(3,4-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-{[6-(3-methylbutylidene)-5H,6H-pyrrolo[2,3-c]pyrrol-5-yl]oxy}oxan-2-yl)methoxy]-2-(methylazaniumyl)-3-oxopropanoateFormula:
C36H37O12N3Smiles:
CNC(C(=O)O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(On2cc3c(c2=CCC(C)C)=NC=C3)C(O)C1OAglycone:
CC(C)CC=c1c2c(cn1O)C=CN=2.CNC(C(=O)O)C(=O)OC.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 703.7 | Num_heavy_atoms: | 51 |
| TPSA: | 211.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
AD45540
Formula: C5H9O4N
Smiles:
CNC(C(=O)O)C(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 147.13 | Num_heavy_atoms: | 10 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
AD49695
Formula: C11H14ON2
Smiles:
CC(C)CC=c1c2c(cn1O)C=CN=2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.25 | Num_heavy_atoms: | 14 |
| TPSA: | 37.52 | NumAromaticRings: | 1 |
