Glycoside
GD027404
Name:
NoneFormula:
C34H47O10N5Smiles:
C=C[C@@]1(C)C[C@H](OC(=O)Cn2cc(CO[C@@H]3[C@H](O)[C@H](CO)O[C@H]3n3ccc(=O)[nH]c3=O)nn2)[C@@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@H](C)[C@H]1OAglycone:
C=CC1(C)CC(OC(=O)Cn2cc(CO)nn2)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 685.77 | Num_heavy_atoms: | 49 |
| TPSA: | 208.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD18013
Formula: C25H37O5N3
Smiles:
C=CC1(C)CC(OC(=O)Cn2cc(CO)nn2)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 459.59 | Num_heavy_atoms: | 33 |
| TPSA: | 114.54 | NumAromaticRings: | 1 |
