Glycoside
...
GD126988

Name:
None

Formula:
C41H45O14N4

Smiles:
COc1c(OCO)ccc2c1OC1c3c(CN4C=C5N=CC=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C4O)cc3OC(Cc3ccccc3)C21

Aglycone:
COc1c(OCO)ccc2c1OC1c3c(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: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.39
AlogP: 0.01 Num_rotatable_bonds: 14
MolWt: 817.83 Num_heavy_atoms: 59
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
AD51403
Formula: C31H28O6N2

Smiles:
COc1c(OCO)ccc2c1OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 8 RingCount: 7
HBD: 2 FractionCSP3: 0.26
AlogP: 4.62 Num_rotatable_bonds: 7
MolWt: 524.57 Num_heavy_atoms: 39
TPSA: 92.98 NumAromaticRings: 3

Sugarmoiety
SD00017

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