Glycoside
GD157241
Name:
2-(2-{3-cyclopentyl-1-hydroxy-6-methoxy-8-[(3,4,5-trihydroxy-6-{[(1H-indol-3-yl)methoxy]methyl}oxan-2-yl)oxy]naphthalen-2-yl}-2-oxoethyl)-2,3-dihydro-1H-isoindol-1-oneFormula:
C41H42O10N2Smiles:
COc1cc(OC2OC(COCc3c[nH]c4ccccc34)C(O)C(O)C2O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1Aglycone:
COCc1c[nH]c2ccccc12.COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 722.79 | Num_heavy_atoms: | 53 |
| TPSA: | 171.01 | NumAromaticRings: | 5 |
Unique Aglycone
AD44987
Formula: C10H11ON
Smiles:
COCc1c[nH]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 25.02 | NumAromaticRings: | 2 |
AD53530
Formula: C26H25O5N
Smiles:
COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.49 | Num_heavy_atoms: | 32 |
| TPSA: | 87.07 | NumAromaticRings: | 3 |
