Glycoside
...
GD021290

Name:
None

Formula:
C63H94O16N8

Smiles:
CCCCCCCCCCCNC(=O)N[C@H](C(=O)O)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(OC1OC(O)C(O)C(O)C1NC(=O)CCCCCCCCCCC)c2OC

Aglycone:
CCCCCCCCCCCC(N)=O.CCCCCCCCCCCNC(=O)NC(C(=O)O)C1NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC

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

Other Identifiers

Properties
HBA: 24 RingCount: 6
HBD: 12 FractionCSP3: 0.62
AlogP: 7.16 Num_rotatable_bonds: 34
MolWt: 1219.49 Num_heavy_atoms: 87
TPSA: 361.6 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
AD14581
Formula: C46H63O11N7

Smiles:
CCCCCCCCCCCNC(=O)NC(C(=O)O)C1NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC
HBA: 18 RingCount: 5
HBD: 9 FractionCSP3: 0.5
AlogP: 5.68 Num_rotatable_bonds: 21
MolWt: 890.05 Num_heavy_atoms: 64
TPSA: 273.58 NumAromaticRings: 3

Sugarmoiety
SD00017

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