Glycoside
GD013613
Name:
NoneFormula:
C27H23O6N3Smiles:
CC1OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)C(O)C(O)C1OAglycone:
CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 485.5 | Num_heavy_atoms: | 36 |
| TPSA: | 128.02 | NumAromaticRings: | 5 |
Unique Aglycone
AD06878
Formula: C21H13O2N3
Smiles:
CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 339.35 | Num_heavy_atoms: | 26 |
| TPSA: | 68.96 | NumAromaticRings: | 5 |
