Glycoside
GD116005
Name:
NoneFormula:
C27H39O12N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -4.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 611.63 | Num_heavy_atoms: | 43 |
| TPSA: | 245.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD45996
Formula: C21H29O7N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NC| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 449.48 | Num_heavy_atoms: | 32 |
| TPSA: | 166.18 | NumAromaticRings: | 0 |
