Glycoside
GD149164
Name:
2-[2-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-3-(hydroxymethyl)-6-({[5-(3-hydroxypropyl)-1H-indol-3-yl]methoxy}methyl)oxan-2-yl]oxy}naphthalen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindol-1-oneFormula:
C45H50O12N2Smiles:
COc1cc(OC2OC(COCc3c[nH]c4ccc(CCCO)cc34)C(O)C(O)C2(O)CO)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1Aglycone:
COCc1c[nH]c2ccc(CCCO)cc12.COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1(O)C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 15 |
| MolWt: | 810.9 | Num_heavy_atoms: | 59 |
| TPSA: | 211.47 | NumAromaticRings: | 5 |
Unique Aglycone
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 |
AD59649
Formula: C13H17O2N
Smiles:
COCc1c[nH]c2ccc(CCCO)cc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 219.28 | Num_heavy_atoms: | 16 |
| TPSA: | 45.25 | NumAromaticRings: | 2 |
