Glycoside
...
GD127093

Name:
None

Formula:
C44H45O14N4

Smiles:
NC([NH3+])C(OC(=O)CC(=O)O)C1OC(Oc2cc(CN3C=C4N=CC=C4C3)c3c(c2)OC2C(c4ccccc4)C#CCCOc4c(OCO)ccc5c4OC3C52)C(O)C(O)C1O

Aglycone:
NC([NH3+])COC(=O)CC(=O)O.OCOc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(CN5C=C6N=CC=C6C5)c4C(O3)C21

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

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 10 FractionCSP3: 0.39
AlogP: 0.33 Num_rotatable_bonds: 12
MolWt: 853.86 Num_heavy_atoms: 62
TPSA: 269.16 NumAromaticRings: 3

Unique Aglycone
AD45159
Formula: C5H11O4N2

Smiles:
NC([NH3+])COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 6 FractionCSP3: 0.6
AlogP: -2.47 Num_rotatable_bonds: 4
MolWt: 163.15 Num_heavy_atoms: 11
TPSA: 117.26 NumAromaticRings: 0
AD51451
Formula: C34H28O6N2

Smiles:
OCOc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(CN5C=C6N=CC=C6C5)c4C(O3)C21
HBA: 8 RingCount: 8
HBD: 2 FractionCSP3: 0.26
AlogP: 4.94 Num_rotatable_bonds: 5
MolWt: 560.61 Num_heavy_atoms: 42
TPSA: 92.98 NumAromaticRings: 3

Sugarmoiety
SD00017

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