Glycoside
GD148912
Name:
NoneFormula:
C40H46O19N4Smiles:
CNCCNC1=CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(O)C(O)C2OAglycone:
CNCCNC1=CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.42 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 886.82 | Num_heavy_atoms: | 63 |
| TPSA: | 385.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD59566
Formula: C34H38O13N4
Smiles:
CNCCNC1=CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2O| HBA: | 17 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.35 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 710.69 | Num_heavy_atoms: | 51 |
| TPSA: | 289.69 | NumAromaticRings: | 3 |
