Glycoside
...
GD128680

Name:
None

Formula:
C41H45O13N4

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C4O)cc3OC(Cc3ccccc3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21.NC([NH3+])COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.39
AlogP: 0.69 Num_rotatable_bonds: 13
MolWt: 801.83 Num_heavy_atoms: 58
TPSA: 248.93 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
AD52123
Formula: C31H28O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 7 RingCount: 7
HBD: 1 FractionCSP3: 0.26
AlogP: 5.3 Num_rotatable_bonds: 6
MolWt: 508.57 Num_heavy_atoms: 38
TPSA: 72.75 NumAromaticRings: 3

Sugarmoiety
SD00017

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