Glycoside
GD146045
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 4,5-dihydroxy-3-{3-hydroxy-2-[1-(4-hydroxyphenyl)cyclohexyl]propoxy}-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C38H41O10NSmiles:
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(CO)C(O)C1OCC(CO)C1(c2ccc(O)cc2)CCCCC1Aglycone:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12.OCC(CO)C1(c2ccc(O)cc2)CCCCC1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 671.74 | Num_heavy_atoms: | 49 |
| TPSA: | 181.93 | NumAromaticRings: | 5 |
Unique Aglycone
AD45336
Formula: C18H13O3N
Smiles:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.31 | Num_heavy_atoms: | 22 |
| TPSA: | 62.32 | NumAromaticRings: | 4 |
AD58587
Formula: C15H22O3
Smiles:
OCC(CO)C1(c2ccc(O)cc2)CCCCC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
