Glycoside
GD115488
Name:
NoneFormula:
C34H41O11N3Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 667.71 | Num_heavy_atoms: | 48 |
| TPSA: | 212.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD45695
Formula: C28H29O5N3
Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC1(CCCC(C2CN=C(O)C2)C1)C(O)C3| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 487.56 | Num_heavy_atoms: | 36 |
| TPSA: | 112.98 | NumAromaticRings: | 4 |
