Glycoside
...
GD128809

Name:
None

Formula:
C45H54O12N8

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)(CC(CN3C(=O)C=CC3=O)C3=CCNC(N)=C3)C(O)C2O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 14 FractionCSP3: 0.4
AlogP: -0.95 Num_rotatable_bonds: 15
MolWt: 898.97 Num_heavy_atoms: 65
TPSA: 324.37 NumAromaticRings: 2

Unique Aglycone
AD45179
Formula: C27H31O5N5

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCC3=CNC(N)C=C3)c(CNC(=N)NC)c(O)c1C2=O
HBA: 10 RingCount: 4
HBD: 8 FractionCSP3: 0.3
AlogP: 1.95 Num_rotatable_bonds: 7
MolWt: 505.58 Num_heavy_atoms: 37
TPSA: 169.79 NumAromaticRings: 2
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

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O