Glycoside
GD129833
Name:
3H-naphtho[2,3-e]indol-1-yl 3-(benzyloxy)-4,5-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylateFormula:
C29H25O7NSmiles:
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)C1OC(O)(CO)C(O)C1OCc1ccccc1Aglycone:
O=COc1c[nH]c2ccc3cc4ccccc4cc3c12.OCc1ccccc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 499.52 | Num_heavy_atoms: | 37 |
| TPSA: | 121.24 | NumAromaticRings: | 5 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
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 |
