Glycoside
GD015811
Name:
NoneFormula:
C31H47O12N5Smiles:
CCCCCCCO[C@@H]1[C@H](OC)[C@H]([C@H](O[C@@H]2OC(C(=O)N[C@@H]3CCC[C@H](C)NC3=O)=C[C@H](O)[C@H]2O)C(N)=O)O[C@H]1n1ccc(=O)[nH]c1=OAglycone:
CC1CCCC(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)C(=O)N1.CCCCCCCO.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 15 |
| MolWt: | 681.74 | Num_heavy_atoms: | 48 |
| TPSA: | 242.76 | NumAromaticRings: | 1 |
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 |
AD00336
Formula: C7H16O
Smiles:
CCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 116.2 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD01318
Formula: C15H23O7N3
Smiles:
CC1CCCC(NC(=O)C2=CC(O)C(O)C(OCC(N)=O)O2)C(=O)N1| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.36 | Num_heavy_atoms: | 25 |
| TPSA: | 160.21 | NumAromaticRings: | 0 |
