Glycoside
GD130054
Name:
2-[2-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-2-oxoethyl]-4-[(methylamino)methyl]-2,3-dihydro-1H-isoindol-1-oneFormula:
C34H40O10N2Smiles:
CNCc1cccc2c1CN(CC(=O)c1c(C3CCCC3)cc3cc(OC)cc(OC4OC(CO)C(O)C(O)C4O)c3c1O)C2=OAglycone:
CNCc1cccc2c1CN(CC(=O)c1c(C3CCCC3)cc3cc(OC)cc(O)c3c1O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 636.7 | Num_heavy_atoms: | 46 |
| TPSA: | 178.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD47092
Formula: C28H30O5N2
Smiles:
CNCc1cccc2c1CN(CC(=O)c1c(C3CCCC3)cc3cc(OC)cc(O)c3c1O)C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.56 | Num_heavy_atoms: | 35 |
| TPSA: | 99.1 | NumAromaticRings: | 3 |
