Glycoside
...
GD112102

Name:
None

Formula:
C33H44O10N4

Smiles:
CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC

Aglycone:
CCCC=O.CCCC=O.CCCC=O.CCCC=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C

Sugarmoiety:
OOCC(OO)C(OO)C(O)OO

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.58
AlogP: 3.68 Num_rotatable_bonds: 17
MolWt: 656.73 Num_heavy_atoms: 47
TPSA: 185.84 NumAromaticRings: 1

Unique Aglycone
AD07262
Formula: C4H8O

Smiles:
CCCC=O
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.99 Num_rotatable_bonds: 2
MolWt: 72.11 Num_heavy_atoms: 5
TPSA: 17.07 NumAromaticRings: 0
AD07263
Formula: C13H12O2N4

Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.23
AlogP: 0.74 Num_rotatable_bonds: 0
MolWt: 256.26 Num_heavy_atoms: 19
TPSA: 80.64 NumAromaticRings: 1

Sugarmoiety
SD00107

OOCC(OO)C(OO)C(O)OO