Glycoside
...
GD147446

Name:
None

Formula:
C55H64O16N8

Smiles:
CNC(=N)NC1CC2CC3C=CC(CO)C4CCc5c6c(c(O)c1c5C2C34C1=CNC(N)C=C1)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)c1C6=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NC1CC2CC3C=CC(CO)C4CCc5c6c(c(O)c1c5C2C34C1=CNC(N)C=C1)C(=O)c1c(O)cc(OC)c(CO)c1C6=O

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

Other Identifiers

Properties
HBA: 24 RingCount: 11
HBD: 18 FractionCSP3: 0.47
AlogP: -1.92 Num_rotatable_bonds: 13
MolWt: 1093.16 Num_heavy_atoms: 79
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
AD59045
Formula: C37H41O7N5

Smiles:
CNC(=N)NC1CC2CC3C=CC(CO)C4CCc5c6c(c(O)c1c5C2C34C1=CNC(N)C=C1)C(=O)c1c(O)cc(OC)c(CO)c1C6=O
HBA: 12 RingCount: 8
HBD: 10 FractionCSP3: 0.43
AlogP: 2.34 Num_rotatable_bonds: 5
MolWt: 667.76 Num_heavy_atoms: 49
TPSA: 210.25 NumAromaticRings: 2

Sugarmoiety
SD04755

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