Glycoside
GD144213
Name:
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-amino-3-(1H-indol-3-yl)propanoateFormula:
C23H32O12N2Smiles:
NC(Cc1c[nH]c2ccccc12)C(=O)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
NC(Cc1c[nH]c2ccccc12)C(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -3.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 528.51 | Num_heavy_atoms: | 37 |
| TPSA: | 237.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD29377
Formula: C11H12O2N2
Smiles:
NC(Cc1c[nH]c2ccccc12)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.23 | Num_heavy_atoms: | 15 |
| TPSA: | 79.11 | NumAromaticRings: | 2 |
