Glycoside
...
GD017646

Name:
None

Formula:
C42H41O13N3

Smiles:
CO[C@@H]1O[C@H](COCc2cn(CCCCOc3ccc(O)c(C(=O)O)c3)nn2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

Aglycone:
COCc1cn(CCCCOc2ccc(O)c(C(=O)O)c2)nn1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 2 FractionCSP3: 0.29
AlogP: 5.11 Num_rotatable_bonds: 18
MolWt: 795.8 Num_heavy_atoms: 58
TPSA: 204.06 NumAromaticRings: 5

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD12578
Formula: C15H19O5N3

Smiles:
COCc1cn(CCCCOc2ccc(O)c(C(=O)O)c2)nn1
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.4
AlogP: 1.69 Num_rotatable_bonds: 9
MolWt: 321.33 Num_heavy_atoms: 23
TPSA: 106.7 NumAromaticRings: 2

Sugarmoiety
SD00009

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