Glycoside
GD127196
Name:
NoneFormula:
C43H49O12N7Smiles:
NC1=CC(CCOC2C(Oc3c(Cc4ccccc4N4CNC5C(O)=NC(N)NC54)cc4c(c3OCC(O)CC=O)C(=O)c3ccccc3C4=O)OC(CO)C(O)C2O)=CCN1Aglycone:
NC1=CC(CCO)=CCN1.NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.4 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 15 |
| MolWt: | 855.9 | Num_heavy_atoms: | 62 |
| TPSA: | 293.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD47760
Formula: C30H29O7N5
Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 571.59 | Num_heavy_atoms: | 42 |
| TPSA: | 186.81 | NumAromaticRings: | 3 |
AD51500
Formula: C7H12ON2
Smiles:
NC1=CC(CCO)=CCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.19 | Num_heavy_atoms: | 10 |
| TPSA: | 58.28 | NumAromaticRings: | 0 |
