Glycoside
...
GD036171

Name:
None

Formula:
C47H52O14N6

Smiles:
CO[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2cn(CCCOc3ccc(O)c(C(=O)O)c3)nn2)[C@H]1OCc1cn(CCCOc2ccc(O)c(C(=O)O)c2)nn1

Aglycone:
COCc1ccccc1.O=C(O)c1cc(OCCCn2cc(CO)nn2)ccc1O.O=C(O)c1cc(OCCCn2cc(CO)nn2)ccc1O.OCc1ccccc1

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 4 FractionCSP3: 0.36
AlogP: 5.26 Num_rotatable_bonds: 26
MolWt: 924.96 Num_heavy_atoms: 67
TPSA: 250.32 NumAromaticRings: 6

Unique Aglycone
AD00042
Formula: C8H10O

Smiles:
COCc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 9.23 NumAromaticRings: 1
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD22838
Formula: C13H15O5N3

Smiles:
O=C(O)c1cc(OCCCn2cc(CO)nn2)ccc1O
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.31
AlogP: 0.64 Num_rotatable_bonds: 7
MolWt: 293.28 Num_heavy_atoms: 21
TPSA: 117.7 NumAromaticRings: 2

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O