Glycoside
GD149508
Name:
NoneFormula:
C40H49O10N7Smiles:
CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(OC2OC(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C2O)cc(OC)cc1C3=OAglycone:
CCC1=CCNC(N)=C1.CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.42 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 787.87 | Num_heavy_atoms: | 57 |
| TPSA: | 286.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD44859
Formula: C7H12N2
Smiles:
CCC1=CCNC(N)=C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.19 | Num_heavy_atoms: | 9 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
AD54880
Formula: C27H29O5N5
Smiles:
CNC(=N)NC1CCC(CC2=CNC(N)C=C2)c2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 503.56 | Num_heavy_atoms: | 37 |
| TPSA: | 169.79 | NumAromaticRings: | 2 |
