Glycoside
GD148210
Name:
NoneFormula:
C44H67O14N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C(C(=O)OC2CCC3(CCC4(CCCC4)C3)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCC4(CCCC4)C3)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 17 |
| MolWt: | 876.03 | Num_heavy_atoms: | 62 |
| TPSA: | 274.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD59317
Formula: C35H51O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCC3(CCC4(CCCC4)C3)C2)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 12 |
| MolWt: | 655.81 | Num_heavy_atoms: | 47 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
