Glycoside
GD144735
Name:
NoneFormula:
C30H45O13N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)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:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -3.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 669.71 | Num_heavy_atoms: | 47 |
| TPSA: | 254.56 | 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 |
