Glycoside
GD021694
Name:
NoneFormula:
C29H25O8N3Smiles:
COC1C(CO)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C(OC(C)=O)C1OAglycone:
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21Sugarmoiety:
COC1C(CO)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 543.53 | Num_heavy_atoms: | 40 |
| TPSA: | 152.11 | NumAromaticRings: | 5 |
Unique Aglycone
AD04076
Formula: C20H11O2N3
Smiles:
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 325.33 | Num_heavy_atoms: | 25 |
| TPSA: | 77.75 | NumAromaticRings: | 5 |
