Glycoside
GD142001
Name:
Ra-XviFormula:
C48H60O16N6Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)C(OC(C)=O)C(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1Aglycone:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)C(OC(C)=O)C(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 977.03 | Num_heavy_atoms: | 70 |
| TPSA: | 302.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD57167
Formula: C42H50O11N6
Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)C(OC(C)=O)C(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1| HBA: | 17 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 814.89 | Num_heavy_atoms: | 59 |
| TPSA: | 223.69 | NumAromaticRings: | 3 |
