Glycoside
...
GD020107

Name:
None

Formula:
C32H41O11N3

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(C(C)=NOCCN4CCOCC4)c(=O)oc3c2C)OC1(C)C

Aglycone:
CC(=NOCCN1CCOCC1)c1c(O)c2ccc(O)c(C)c2oc1=O.Cc1ccc(C(=O)O)[nH]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 3 FractionCSP3: 0.53
AlogP: 2.63 Num_rotatable_bonds: 10
MolWt: 643.69 Num_heavy_atoms: 46
TPSA: 174.51 NumAromaticRings: 3

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
AD13935
Formula: C18H22O6N2

Smiles:
CC(=NOCCN1CCOCC1)c1c(O)c2ccc(O)c(C)c2oc1=O
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 1.59 Num_rotatable_bonds: 5
MolWt: 362.38 Num_heavy_atoms: 26
TPSA: 104.73 NumAromaticRings: 2

Sugarmoiety
SD00066

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