Glycoside
GD031644
Name:
NoneFormula:
C37H37O10N3Smiles:
COC1C(OC(=O)c2c(C)ncn2Cc2ccccc2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccccc3)c(=O)oc12.Cc1ncn(Cc2ccccc2)c1C(=O)OSugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 683.71 | Num_heavy_atoms: | 50 |
| TPSA: | 171.58 | NumAromaticRings: | 5 |
Unique Aglycone
AD03445
Formula: C17H13O5N
Smiles:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccccc3)c(=O)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 311.29 | Num_heavy_atoms: | 23 |
| TPSA: | 99.77 | NumAromaticRings: | 3 |
AD20365
Formula: C12H12O2N2
Smiles:
Cc1ncn(Cc2ccccc2)c1C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 55.12 | NumAromaticRings: | 2 |
