Glycoside
...
GD116025

Name:
None

Formula:
C53H62O16N8

Smiles:
CNC(=N)NC1CC2C=CC3(C4=CNC(N)C=C4)C(CCO)CCc4c5c(c(O)c1c4C23)C(=O)c1c(OC2OC(O)(C(O)O)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)cc(OC)c(CO)c1C5=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NC1CC2C=CC3(C4=CNC(N)C=C4)C(CCO)CCc4c5c(c(O)c1c4C23)C(=O)c1c(O)cc(OC)c(CO)c1C5=O

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

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 18 FractionCSP3: 0.45
AlogP: -2.17 Num_rotatable_bonds: 14
MolWt: 1067.12 Num_heavy_atoms: 77
TPSA: 405.29 NumAromaticRings: 2

Unique Aglycone
AD45449
Formula: C12H15O2N3

Smiles:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.12 Num_rotatable_bonds: 3
MolWt: 233.27 Num_heavy_atoms: 17
TPSA: 75.43 NumAromaticRings: 0
AD46007
Formula: C35H39O7N5

Smiles:
CNC(=N)NC1CC2C=CC3(C4=CNC(N)C=C4)C(CCO)CCc4c5c(c(O)c1c4C23)C(=O)c1c(O)cc(OC)c(CO)c1C5=O
HBA: 12 RingCount: 7
HBD: 10 FractionCSP3: 0.4
AlogP: 2.09 Num_rotatable_bonds: 6
MolWt: 641.73 Num_heavy_atoms: 47
TPSA: 210.25 NumAromaticRings: 2

Sugarmoiety
SD04755

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