Glycoside
...
GD130308

Name:
None

Formula:
C54H66O15N8

Smiles:
CCc1c(OC)cc(OC2OC(O)(C(O)O)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1c3c4c(c(O)c1C2=O)C(NC(=N)NC)CC1CCC(C2=CNC(N)C=C2)(C(CCO)CC3)C41

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1c3c4c(c(O)c1C2=O)C(NC(=N)NC)CC1CCC(C2=CNC(N)C=C2)(C(CCO)CC3)C41

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

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 17 FractionCSP3: 0.5
AlogP: -0.87 Num_rotatable_bonds: 14
MolWt: 1067.16 Num_heavy_atoms: 77
TPSA: 385.06 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
AD52804
Formula: C36H43O6N5

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1c3c4c(c(O)c1C2=O)C(NC(=N)NC)CC1CCC(C2=CNC(N)C=C2)(C(CCO)CC3)C41
HBA: 11 RingCount: 7
HBD: 9 FractionCSP3: 0.47
AlogP: 3.39 Num_rotatable_bonds: 6
MolWt: 641.77 Num_heavy_atoms: 47
TPSA: 190.02 NumAromaticRings: 2

Sugarmoiety
SD04755

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