Glycoside
...
GD131449

Name:
None

Formula:
C34H41O13N5

Smiles:
CNCCOc1c(OC2OC(C(=O)O)C(O)(CC3CNCN3)C(O)C2O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1O

Aglycone:
CC1CNCN1.CNCCOc1c(O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 12 FractionCSP3: 0.41
AlogP: -0.66 Num_rotatable_bonds: 14
MolWt: 727.72 Num_heavy_atoms: 52
TPSA: 283.48 NumAromaticRings: 4

Unique Aglycone
AD45423
Formula: C4H10N2

Smiles:
CC1CNCN1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.47 Num_rotatable_bonds: 0
MolWt: 86.14 Num_heavy_atoms: 6
TPSA: 24.06 NumAromaticRings: 0
AD53257
Formula: C24H25O7N3

Smiles:
CNCCOc1c(O)cc2oc(-c3ccc(OCC(O)c4ccc(N)[nH]4)cc3)cc(=O)c2c1O
HBA: 10 RingCount: 4
HBD: 7 FractionCSP3: 0.21
AlogP: 2.49 Num_rotatable_bonds: 9
MolWt: 467.48 Num_heavy_atoms: 34
TPSA: 163.2 NumAromaticRings: 4

Sugarmoiety
SD04330

O=C(O)C1OC(O)C(O)C(O)C1(O)O