Glycoside
...
GD009287

Name:
None

Formula:
C34H36O9N4

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(OCCn4cnc(-c5cccnc5)c4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(OCCn3cnc(-c4cccnc4)c3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 2 FractionCSP3: 0.35
AlogP: 4.19 Num_rotatable_bonds: 10
MolWt: 644.68 Num_heavy_atoms: 47
TPSA: 160.16 NumAromaticRings: 5

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD07295
Formula: C20H17O4N3

Smiles:
Cc1c(O)ccc2c(OCCn3cnc(-c4cccnc4)c3)cc(=O)oc12
HBA: 7 RingCount: 4
HBD: 1 FractionCSP3: 0.15
AlogP: 3.14 Num_rotatable_bonds: 5
MolWt: 363.37 Num_heavy_atoms: 27
TPSA: 90.38 NumAromaticRings: 4

Sugarmoiety
SD00066

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