Glycoside
GD025530
Name:
NoneFormula:
C54H71O12N7Smiles:
CCc1c(CC)c2cc3nc(cc4[nH]c(c(C)c4CC)c4[nH]c(cc5nc(cc1[nH]2)C(CCC(=O)NC1C(O)OC(CO)C(O)C1O)=C5C)c(CC)c4C)C(C)=C3CCC(=O)NC1C(O)OC(CO)C(O)C1OAglycone:
CCc1c(CC)c2cc3nc(cc4[nH]c(c(C)c4CC)c4[nH]c(cc5nc(cc1[nH]2)C(CCC(N)=O)=C5C)c(CC)c4C)C(C)=C3CCC(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.52 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 14 |
| MolWt: | 1010.2 | Num_heavy_atoms: | 73 |
| TPSA: | 311.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD16918
Formula: C42H51O2N7
Smiles:
CCc1c(CC)c2cc3nc(cc4[nH]c(c(C)c4CC)c4[nH]c(cc5nc(cc1[nH]2)C(CCC(N)=O)=C5C)c(CC)c4C)C(C)=C3CCC(N)=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 8.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 685.92 | Num_heavy_atoms: | 51 |
| TPSA: | 159.33 | NumAromaticRings: | 4 |
