Glycoside
GD120110
Name:
3H-naphtho[2,3-e]indol-1-yl 5-{1,3-dihydroxyspiro[4.4]nonan-1-yl}-3,4,5-trihydroxyoxolane-2-carboxylateFormula:
C30H31O8NSmiles:
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(C2(O)CC(O)CC23CCCC3)C(O)C1OAglycone:
O=COc1c[nH]c2ccc3cc4ccccc4cc3c12.OC1CC(O)C2(CCCC2)C1Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 533.58 | Num_heavy_atoms: | 39 |
| TPSA: | 152.47 | NumAromaticRings: | 4 |
Unique Aglycone
AD47969
Formula: C17H11O2N
Smiles:
O=COc1c[nH]c2ccc3cc4ccccc4cc3c12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.28 | Num_heavy_atoms: | 20 |
| TPSA: | 42.09 | NumAromaticRings: | 4 |
AD48212
Formula: C9H16O2
Smiles:
OC1CC(O)C2(CCCC2)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 156.22 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
