Glycoside
...
GD031523

Name:
None

Formula:
C45H44O17N2

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](OCCc3ccc(O)c4c3[C@]3(Nc5ccccc5C3=O)[C@@]3(Nc5ccccc5C3=O)O4)O[C@H](CO)[C@H]2OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=C1c2ccccc2NC12Oc1c(O)ccc(CCO)c1C21Nc2ccccc2C1=O

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 10 FractionCSP3: 0.36
AlogP: 1.18 Num_rotatable_bonds: 10
MolWt: 884.84 Num_heavy_atoms: 64
TPSA: 292.49 NumAromaticRings: 4

Unique Aglycone
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
AD20300
Formula: C24H18O5N2

Smiles:
O=C1c2ccccc2NC12Oc1c(O)ccc(CCO)c1C21Nc2ccccc2C1=O
HBA: 7 RingCount: 6
HBD: 4 FractionCSP3: 0.17
AlogP: 2.83 Num_rotatable_bonds: 2
MolWt: 414.42 Num_heavy_atoms: 31
TPSA: 107.89 NumAromaticRings: 3

Sugarmoiety
SD00323

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O