Glycoside
...
GD003394

Name:
None

Formula:
C52H72O16N6

Smiles:
CCCCCCCCCCCC(=O)NC1C(Oc2cc3cc(c2OC)Oc2ccc(cc2[N+](=O)[O-])C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]3[C@H](O)C(=O)O)OC(CO)C(O)C1O

Aglycone:
CCCCCCCCCCCC(N)=O.COc1c(O)cc2cc1Oc1ccc(cc1[N+](=O)[O-])CC(NC(=O)C(N)CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC2C(O)C(=O)O

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

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 11 FractionCSP3: 0.56
AlogP: 3.36 Num_rotatable_bonds: 24
MolWt: 1037.17 Num_heavy_atoms: 74
TPSA: 340.7 NumAromaticRings: 3

Unique Aglycone
AD00189
Formula: C12H25ON

Smiles:
CCCCCCCCCCCC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 3.39 Num_rotatable_bonds: 10
MolWt: 199.34 Num_heavy_atoms: 14
TPSA: 43.09 NumAromaticRings: 0
AD03087
Formula: C34H39O11N5

Smiles:
COc1c(O)cc2cc1Oc1ccc(cc1[N+](=O)[O-])CC(NC(=O)C(N)CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC2C(O)C(=O)O
HBA: 16 RingCount: 5
HBD: 8 FractionCSP3: 0.35
AlogP: 1.85 Num_rotatable_bonds: 10
MolWt: 693.71 Num_heavy_atoms: 50
TPSA: 252.68 NumAromaticRings: 3

Sugarmoiety
SD00003

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