Glycoside
GD149403
Name:
Ra XivFormula:
C48H58O15N6Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)CC(C(O)=NC(C)C(=O)N4C(=O)CCC4C(=O)N2C)N(C)C3=O)cc1Aglycone:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(=O)N4C(=O)CCC4C(=O)N2C)N(C)C3=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 959.02 | Num_heavy_atoms: | 69 |
| TPSA: | 281.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD59753
Formula: C42H48O10N6
Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(=O)N4C(=O)CCC4C(=O)N2C)N(C)C3=O)cc1| HBA: | 16 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 796.88 | Num_heavy_atoms: | 58 |
| TPSA: | 202.18 | NumAromaticRings: | 3 |
