Glycoside
GD143052
Name:
N-(12-hydroxy-8-methoxy-6,11-dioxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,6,11-hexahydrotetracen-1-yl)-N'-methylguanidineFormula:
C27H31O10N3Smiles:
CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(OC2OC(CO)C(O)C(O)C2O)cc(OC)cc1C3=OAglycone:
CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 557.56 | Num_heavy_atoms: | 40 |
| TPSA: | 210.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD52858
Formula: C21H21O5N3
Smiles:
CNC(=N)NC1CCCc2cc3c(c(O)c21)C(=O)c1c(O)cc(OC)cc1C3=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 395.42 | Num_heavy_atoms: | 29 |
| TPSA: | 131.74 | NumAromaticRings: | 2 |
