Glycoside
GD137211
Name:
2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl 4,5-dihydroxy-3-{3-hydroxy-2-[1-(4-hydroxyphenyl)cyclopentyl]propoxy}-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C37H39O10NSmiles:
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(CO)C(O)C1OCC(CO)C1(c2ccc(O)cc2)CCCC1Aglycone:
O=COc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12.OCC(CO)C1(c2ccc(O)cc2)CCCC1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 657.72 | Num_heavy_atoms: | 48 |
| 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 |
AD55446
Formula: C14H20O3
Smiles:
OCC(CO)C1(c2ccc(O)cc2)CCCC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.31 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
