Glycoside
GD013033
Name:
NoneFormula:
C57H81O12N7Smiles:
CCC1=C(C)C2=NC1=Cc1[nH]c(c(CCC(=O)N(C)CC(O)C(O)C(O)C(O)CO)c1C)C=c1[nH]c(c(CC)c1CC)=Cc1[nH]c(c(C)c1CCC(=O)N(C)CC(O)C(O)C(O)C(O)CO)C=C1N=C(C2)C(C)=C1CCAglycone:
CCC1=C(C)C2=NC1=Cc1[nH]c(c(CCC(=O)N(C)C)c1C)C=c1[nH]c(c(CC)c1CC)=Cc1[nH]c(c(C)c1CCC(=O)N(C)C)C=C1N=C(C2)C(C)=C1CCSugarmoiety:
OCC(O)C(O)C(O)C(O)O.OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.54 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 22 |
| MolWt: | 1056.31 | Num_heavy_atoms: | 76 |
| TPSA: | 315.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD09778
Formula: C47H61O2N7
Smiles:
CCC1=C(C)C2=NC1=Cc1[nH]c(c(CCC(=O)N(C)C)c1C)C=c1[nH]c(c(CC)c1CC)=Cc1[nH]c(c(C)c1CCC(=O)N(C)C)C=C1N=C(C2)C(C)=C1CC| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 7.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.05 | Num_heavy_atoms: | 56 |
| TPSA: | 112.71 | NumAromaticRings: | 3 |
