Glycoside
GD136632
Name:
NoneFormula:
C68H84O24N6Smiles:
CCC1(OC2CC(OC)C(O)C(C)O2)C(OC2CC(O)C(N(C)C)C(C)O2)c2c(c3c(=O)c4c(O)ccc(O)c4c(=O)c=3c2=NN)C(=O)C1C1C(=O)c2c(c(=NN)c3c(=O)c4c(O)ccc(O)c4c(=O)c2=3)C(OC2CC(O)C(N(C)C)C(C)O2)C1(CC)OC1CC(OC)C(O)C(C)O1Aglycone:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)c2c(c3c(=O)c4c(O)ccc(O)c4c(=O)c=3c2=NN)C(=O)C1C1C(=O)c2c(c(=NN)c3c(=O)c4c(O)ccc(O)c4c(=O)c2=3)C(OC2CC(O)C(N(C)C)C(C)O2)C1(O)CCSugarmoiety:
COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 12 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 15 |
| MolWt: | 1369.44 | Num_heavy_atoms: | 98 |
| TPSA: | 439.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD55240
Formula: C54H60O18N6
Smiles:
CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)c2c(c3c(=O)c4c(O)ccc(O)c4c(=O)c=3c2=NN)C(=O)C1C1C(=O)c2c(c(=NN)c3c(=O)c4c(O)ccc(O)c4c(=O)c2=3)C(OC2CC(O)C(N(C)C)C(C)O2)C1(O)CC| HBA: | 24 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 1081.1 | Num_heavy_atoms: | 78 |
| TPSA: | 384.42 | NumAromaticRings: | 2 |
