Glycoside
GD007572
Name:
NoneFormula:
C51H59O27N10P3S2Smiles:
N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCNC(=O)COc5ccc(CCCON=c6ccn([C@@H]7O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]7O)c(=O)[nH]6)cc5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCNC(=O)COc5ccc(CCCON=c6cc[nH]c(=O)[nH]6)cc5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 37 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 0.33 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 31 |
| MolWt: | 1401.13 | Num_heavy_atoms: | 93 |
| TPSA: | 576.08 | NumAromaticRings: | 5 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD06146
Formula: C46H48O14N10S2
Smiles:
N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCNC(=O)COc5ccc(CCCON=c6cc[nH]c(=O)[nH]6)cc5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O| HBA: | 24 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.26 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 23 |
| MolWt: | 1029.08 | Num_heavy_atoms: | 72 |
| TPSA: | 377.43 | NumAromaticRings: | 5 |
