Glycoside
...
GD147210

Name:
None

Formula:
C45H43O13N3

Smiles:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(OC5OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C5O)cc(C5=c6ccccc6=NC5)c4C(O3)C21

Aglycone:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(C5=c6ccccc6=NC5)c4C(O3)C21.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 8 FractionCSP3: 0.36
AlogP: 0.89 Num_rotatable_bonds: 10
MolWt: 833.85 Num_heavy_atoms: 61
TPSA: 244.07 NumAromaticRings: 4

Unique Aglycone
AD45165
Formula: C5H10O4N2

Smiles:
NC(N)COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.6
AlogP: -1.75 Num_rotatable_bonds: 4
MolWt: 162.14 Num_heavy_atoms: 11
TPSA: 115.64 NumAromaticRings: 0
AD58965
Formula: C35H27O5N

Smiles:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(C5=c6ccccc6=NC5)c4C(O3)C21
HBA: 6 RingCount: 8
HBD: 1 FractionCSP3: 0.23
AlogP: 4.78 Num_rotatable_bonds: 3
MolWt: 541.6 Num_heavy_atoms: 41
TPSA: 69.51 NumAromaticRings: 4

Sugarmoiety
SD00017

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