Glycoside
...
GD003427

Name:
None

Formula:
C53H73O16N7

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)NC3[C@H](NC(C)=O)C(=O)O)OC(O)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(NC(C)=O)C(=O)O

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 11 FractionCSP3: 0.55
AlogP: 3.47 Num_rotatable_bonds: 24
MolWt: 1064.2 Num_heavy_atoms: 76
TPSA: 349.57 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
AD03119
Formula: C36H42O11N6

Smiles:
COc1c(O)cc2cc1Oc1ccc(cc1[N+](=O)[O-])CC(NC(=O)C(N)CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC2C(NC(C)=O)C(=O)O
HBA: 17 RingCount: 5
HBD: 8 FractionCSP3: 0.36
AlogP: 1.99 Num_rotatable_bonds: 11
MolWt: 734.76 Num_heavy_atoms: 53
TPSA: 261.55 NumAromaticRings: 3

Sugarmoiety
SD00017

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