Glycoside
GD013596
Name:
NoneFormula:
C43H48O9N10Smiles:
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1)C(=O)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(CNC(=O)C(N)Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.3 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 17 |
| MolWt: | 848.92 | Num_heavy_atoms: | 62 |
| TPSA: | 290.58 | NumAromaticRings: | 6 |
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 |
AD10116
Formula: C35H40O4N8
Smiles:
CNC(=O)C(CNC(=O)C(N)Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.26 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 14 |
| MolWt: | 636.76 | Num_heavy_atoms: | 47 |
| TPSA: | 186.03 | NumAromaticRings: | 5 |
