Glycoside
GD151313
Name:
2-[3-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enamido]-3,5-dihydroxybenzoic acidFormula:
C22H23O13NSmiles:
O=C(O)c1cc(O)cc(O)c1N=C(O)C=Cc1cc(O)c(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
O=C(O)c1cc(O)cc(O)c1N=C(O)C=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.27 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 509.42 | Num_heavy_atoms: | 36 |
| TPSA: | 250.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD60360
Formula: C16H13O8N
Smiles:
O=C(O)c1cc(O)cc(O)c1N=C(O)C=Cc1cc(O)c(O)c(O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.28 | Num_heavy_atoms: | 25 |
| TPSA: | 171.04 | NumAromaticRings: | 2 |
