Glycoside
...
GD129553

Name:
None

Formula:
C34H38O13N3

Smiles:
C[NH2+]C(OC(=O)CC(=O)O)C1OC(Oc2cc(CN3C=C4N=CC=C4C3)c3c(c2)OCC2c4ccc(OC)c(OC)c4OC32)C(O)C(O)C1O

Aglycone:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OCC21.C[NH2+]COC(=O)CC(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.44
AlogP: -0.3 Num_rotatable_bonds: 11
MolWt: 696.69 Num_heavy_atoms: 50
TPSA: 211.88 NumAromaticRings: 2

Unique Aglycone
AD49436
Formula: C24H22O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OCC21
HBA: 7 RingCount: 6
HBD: 1 FractionCSP3: 0.29
AlogP: 3.69 Num_rotatable_bonds: 4
MolWt: 418.45 Num_heavy_atoms: 31
TPSA: 72.75 NumAromaticRings: 2
AD52481
Formula: C5H10O4N

Smiles:
C[NH2+]COC(=O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: -1.84 Num_rotatable_bonds: 4
MolWt: 148.14 Num_heavy_atoms: 10
TPSA: 80.21 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O