Glycoside
GD009851
Name:
NoneFormula:
C27H35O8N5Smiles:
O=C(CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCCC1=OAglycone:
CCC(=O)NC(Cc1ccccc1)C(=O)NCCCN1CCCC1=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 12 |
| MolWt: | 557.6 | Num_heavy_atoms: | 40 |
| TPSA: | 183.06 | 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 |
AD07687
Formula: C19H27O3N3
Smiles:
CCC(=O)NC(Cc1ccccc1)C(=O)NCCCN1CCCC1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 345.44 | Num_heavy_atoms: | 25 |
| TPSA: | 78.51 | NumAromaticRings: | 1 |
