Glycoside
...
GD026033

Name:
None

Formula:
C33H33O10N3

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc5ccccc5[nH]4)c(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(O)c(NC(=O)c3cc4ccccc4[nH]3)c(=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: 5 FractionCSP3: 0.3
AlogP: 4.29 Num_rotatable_bonds: 7
MolWt: 631.64 Num_heavy_atoms: 46
TPSA: 185.34 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
AD17192
Formula: C19H14O5N2

Smiles:
Cc1c(O)ccc2c(O)c(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc12
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.05
AlogP: 3.25 Num_rotatable_bonds: 2
MolWt: 350.33 Num_heavy_atoms: 26
TPSA: 115.56 NumAromaticRings: 4

Sugarmoiety
SD00066

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