Glycoside
GD132239
Name:
2-[2-(3-cyclopentyl-8-{[3,5-dihydroxy-3-(hydroxymethyl)-4-[(3-hydroxyphenyl)methoxy]-6-{[(1H-indol-3-yl)methoxy]methyl}oxan-2-yl]oxy}-1-hydroxy-6-methoxynaphthalen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindol-1-oneFormula:
C49H50O12N2Smiles:
COc1cc(OC2OC(COCc3c[nH]c4ccccc34)C(O)C(OCc3cccc(O)c3)C2(O)CO)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1Aglycone:
COCc1c[nH]c2ccccc12.COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1.OCc1cccc(O)c1Sugarmoiety:
OCC1(O)C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 6.23 | Num_rotatable_bonds: | 15 |
| MolWt: | 858.94 | Num_heavy_atoms: | 63 |
| TPSA: | 200.47 | NumAromaticRings: | 6 |
Unique Aglycone
AD09483
Formula: C7H8O2
Smiles:
OCc1cccc(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
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 |
