Glycoside
...
GD148412

Name:
None

Formula:
C52H64O14N8

Smiles:
CCc1c(OC)cc(OC2OC(O)(CO)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)CCC4C(C1=CNC(N)C=C1)C(CCO)CC3

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)CCC4C(C1=CNC(N)C=C1)C(CCO)CC3

Sugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 16 FractionCSP3: 0.48
AlogP: -0.58 Num_rotatable_bonds: 14
MolWt: 1025.13 Num_heavy_atoms: 74
TPSA: 364.83 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
AD47332
Formula: C34H41O6N5

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1c3c4c(c(O)c1C2=O)C(NC(=N)NC)CCC4C(C1=CNC(N)C=C1)C(CCO)CC3
HBA: 11 RingCount: 6
HBD: 9 FractionCSP3: 0.44
AlogP: 3.0 Num_rotatable_bonds: 6
MolWt: 615.73 Num_heavy_atoms: 45
TPSA: 190.02 NumAromaticRings: 2

Sugarmoiety
SD04528

OCC1(O)OC(O)C(O)C(O)C1(O)O