Glycoside
GD119641
Name:
3H-naphtho[2,3-e]indol-1-yl 3,4,5-trihydroxy-5-{1-hydroxy-3-[(methylamino)methyl]cyclopentyl}oxolane-2-carboxylateFormula:
C28H30O7N2Smiles:
CNCC1CCC(O)(C2(O)OC(C(=O)Oc3c[nH]c4ccc5cc6ccccc6cc5c34)C(O)C2O)C1Aglycone:
CNCC1CCC(O)C1.O=COc1c[nH]c2ccc3cc4ccccc4cc3c12Sugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.56 | Num_heavy_atoms: | 37 |
| TPSA: | 144.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD47968
Formula: C7H15ON
Smiles:
CNCC1CCC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 129.2 | Num_heavy_atoms: | 9 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
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 |
