Glycoside
...
GD012447

Name:
None

Formula:
C47H63O15N13

Smiles:
CC(C)=Cc1nc2ccc(C[C@@H]3NC(=O)[C@H]([C@H](C)c4ccccc4)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@H](O)[C@@H]4CN=C(N)N4[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)NC(=O)[C@H]([C@H](O)[C@@H]4CN=C(N)N4)NC3=O)cc2o1

Aglycone:
CC(C)=Cc1nc2ccc(CC3NC(=O)C(C(C)c4ccccc4)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C4CN=C(N)N4)NC(=O)C(C(O)C4CN=C(N)N4)NC3=O)cc2o1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 7
HBD: 18 FractionCSP3: 0.51
AlogP: -7.05 Num_rotatable_bonds: 12
MolWt: 1050.1 Num_heavy_atoms: 75
TPSA: 443.5 NumAromaticRings: 3

Unique Aglycone
AD09384
Formula: C41H53O10N13

Smiles:
CC(C)=Cc1nc2ccc(CC3NC(=O)C(C(C)c4ccccc4)NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C4CN=C(N)N4)NC(=O)C(C(O)C4CN=C(N)N4)NC3=O)cc2o1
HBA: 23 RingCount: 6
HBD: 15 FractionCSP3: 0.44
AlogP: -4.56 Num_rotatable_bonds: 10
MolWt: 887.96 Num_heavy_atoms: 64
TPSA: 362.14 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O