Glycoside

GD030090
Name:
NoneFormula:
C30H28O11N4Smiles:
O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC1COCOC1Aglycone:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC1COCOC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 8 |
HBD: | 8 | FractionCSP3: | 0.33 |
AlogP: | 0.29 | Num_rotatable_bonds: | 4 |
MolWt: | 620.57 | Num_heavy_atoms: | 45 |
TPSA: | 219.2 | NumAromaticRings: | 5 |
Unique Aglycone
AD16445
Formula: C24H18O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC1COCOC1HBA: | 10 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.17 |
AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
MolWt: | 458.43 | Num_heavy_atoms: | 34 |
TPSA: | 139.91 | NumAromaticRings: | 5 |