Glycoside

GD027653
Name:
NoneFormula:
C50H50O17N2Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3cc(NC(=O)c4ccc5oc6c(C(=O)Nc7cc8ccc(O[C@@H]9OC(C)(C)[C@H](OC)[C@H](O)[C@H]9O)c(C)c8oc7=O)cccc6c5c4)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2cc(NC(=O)c3ccc4oc5c(C(=O)Nc6cc7ccc(O)c(C)c7oc6=O)cccc5c4c3)c(=O)oc12Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
HBA: | 19 | RingCount: | 9 |
HBD: | 6 | FractionCSP3: | 0.36 |
AlogP: | 5.42 | Num_rotatable_bonds: | 10 |
MolWt: | 950.95 | Num_heavy_atoms: | 69 |
TPSA: | 268.06 | NumAromaticRings: | 7 |
Unique Aglycone
AD18145
Formula: C34H22O9N2
Smiles:
Cc1c(O)ccc2cc(NC(=O)c3ccc4oc5c(C(=O)Nc6cc7ccc(O)c(C)c7oc6=O)cccc5c4c3)c(=O)oc12HBA: | 11 | RingCount: | 7 |
HBD: | 4 | FractionCSP3: | 0.06 |
AlogP: | 6.33 | Num_rotatable_bonds: | 4 |
MolWt: | 602.56 | Num_heavy_atoms: | 45 |
TPSA: | 172.22 | NumAromaticRings: | 7 |