Glycoside

GD002787
Name:
NoneFormula:
C33H32O10N2Smiles:
CC(O)C1(O)C(O)CC(OC2c3cc4c(c(O)c3[C@@H]3C[C@@]2(C)OC32C=c3cc[nH]c3=N2)C(=O)c2cccc(O)c2C4=O)OC1CAglycone:
CC12CC(c3c(cc4c(c3O)C(=O)c3cccc(O)c3C4=O)C1O)C1(C=c3cc[nH]c3=N1)O2Sugarmoiety:
CC(O)C1(O)C(O)CC(O)OC1COther Identifiers
Properties
HBA: | 12 | RingCount: | 8 |
HBD: | 6 | FractionCSP3: | 0.42 |
AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
MolWt: | 616.62 | Num_heavy_atoms: | 45 |
TPSA: | 191.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD02618
Formula: C25H18O6N2
Smiles:
CC12CC(c3c(cc4c(c3O)C(=O)c3cccc(O)c3C4=O)C1O)C1(C=c3cc[nH]c3=N1)O2HBA: | 8 | RingCount: | 7 |
HBD: | 4 | FractionCSP3: | 0.24 |
AlogP: | 1.32 | Num_rotatable_bonds: | 0 |
MolWt: | 442.43 | Num_heavy_atoms: | 33 |
TPSA: | 132.21 | NumAromaticRings: | 3 |