Glycoside
GD132397
Name:
lomaiviticin dFormula:
C69H86O24N4Smiles:
CCC1(OC2CC(OC)C(OC)C(C)O2)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(O)=C3C(=Cc4c(O)c5c(c(O)c43)C(=O)C=CC5=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(CC)OC1CC(OC)C(O)C(C)O1)c1c(O)c3c(c(O)c1C2N[N])C(=O)C=CC3=OAglycone:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(O)=C3C(=Cc4c(O)c5c(c(O)c43)C(=O)C=CC5=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)c1c(O)c3c(c(O)c1C2NN)C(=O)C=CC3=OSugarmoiety:
COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1OCOther Identifiers
Properties
| HBA: | 28 | RingCount: | 12 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 17 |
| MolWt: | 1355.45 | Num_heavy_atoms: | 97 |
| TPSA: | 389.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD49728
Formula: C54H62O18N4
Smiles:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(O)=C3C(=Cc4c(O)c5c(c(O)c43)C(=O)C=CC5=O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)c1c(O)c3c(c(O)c1C2NN)C(=O)C=CC3=O| HBA: | 22 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.5 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 1055.1 | Num_heavy_atoms: | 76 |
| TPSA: | 348.87 | NumAromaticRings: | 2 |
