Glycoside
GD157184
Name:
2-[4-(11-chloro-1-hydroxydodeca-2,4,6,8,10-pentaen-1-ylidene)-1-[3-({5-[(3,4-dihydroxy-5-methyloxolan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl]acetamideFormula:
C34H43O15N2ClSmiles:
CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)C(CC(=N)O)N(C2OCC(O)C(O)C2OC2OCC(OC3OC(C)C(O)C3O)C(O)C2O)C1=OAglycone:
CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(=N)O)C1=OSugarmoiety:
CC1OC(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 743.16 | Num_heavy_atoms: | 51 |
| TPSA: | 269.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD51880
Formula: C19H19O4N2Cl
Smiles:
CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(=N)O)C1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.81 | Num_heavy_atoms: | 25 |
| TPSA: | 110.48 | NumAromaticRings: | 0 |
