Glycoside
...
GD021082

Name:
None

Formula:
C31H32O10N2

Smiles:
COC1C(OC(=O)c2cccn2C)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccccc3)c(=O)oc12.Cn1cccc1C(=O)O

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 3 FractionCSP3: 0.32
AlogP: 3.51 Num_rotatable_bonds: 7
MolWt: 592.6 Num_heavy_atoms: 43
TPSA: 158.69 NumAromaticRings: 4

Unique Aglycone
AD03445
Formula: C17H13O5N

Smiles:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccccc3)c(=O)oc12
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.76 Num_rotatable_bonds: 2
MolWt: 311.29 Num_heavy_atoms: 23
TPSA: 99.77 NumAromaticRings: 3
AD14459
Formula: C6H7O2N

Smiles:
Cn1cccc1C(=O)O
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.17
AlogP: 0.72 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 42.23 NumAromaticRings: 1

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C