Glycoside
GD016555
Name:
NoneFormula:
C39H51O10N9Smiles:
CCCCCCNC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCNC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CNC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 19 |
| MolWt: | 805.89 | Num_heavy_atoms: | 58 |
| TPSA: | 295.02 | NumAromaticRings: | 4 |
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 |
AD11902
Formula: C31H43O5N7
Smiles:
CCCCCCNC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CNC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 16 |
| MolWt: | 593.73 | Num_heavy_atoms: | 43 |
| TPSA: | 190.47 | NumAromaticRings: | 3 |
