Glycoside
...
GD033454

Name:
None

Formula:
C31H54O18N7P

Smiles:
CC(=O)NC1C(OP(=O)(O)O)OC(CO)C(O)C1O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O.O=P(O)(O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 1
HBD: 14 FractionCSP3: 0.74
AlogP: -4.99 Num_rotatable_bonds: 24
MolWt: 843.78 Num_heavy_atoms: 57
TPSA: 400.9 NumAromaticRings: 0

Unique Aglycone
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0
AD05528
Formula: C23H40O10N6

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O
HBA: 16 RingCount: 0
HBD: 10 FractionCSP3: 0.7
AlogP: -3.07 Num_rotatable_bonds: 18
MolWt: 560.61 Num_heavy_atoms: 39
TPSA: 266.35 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O