Glycoside
GD150501
Name:
Totopotensamide AFormula:
C53H84O19N7ClSmiles:
CCC(C)C1N=C(O)C(c2cc(O)c(C)c(O)c2Cl)N=C(O)C(N=C(O)C(C)N=C(O)C(N=C(O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(OC2OC(CO)C(OC)C(O)C2O)C(C)O)C(C)O)C(C)N=C(O)CN=C1OAglycone:
CCC(C)C1N=C(O)C(c2cc(O)c(C)c(O)c2Cl)N=C(O)C(N=C(O)C(C)N=C(O)C(N=C(O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(O)C(C)O)C(C)O)C(C)N=C(O)CN=C1OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.73 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 24 |
| MolWt: | 1146.73 | Num_heavy_atoms: | 79 |
| TPSA: | 434.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD60112
Formula: C46H72O14N7Cl
Smiles:
CCC(C)C1N=C(O)C(c2cc(O)c(C)c(O)c2Cl)N=C(O)C(N=C(O)C(C)N=C(O)C(N=C(O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(O)C(C)O)C(C)O)C(C)N=C(O)CN=C1O| HBA: | 21 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.69 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 20 |
| MolWt: | 970.56 | Num_heavy_atoms: | 67 |
| TPSA: | 366.58 | NumAromaticRings: | 1 |
