Glycoside
...
GD120729

Name:
None

Formula:
C48H55O14N3

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C(CCCO)=CC32C(=O)O)ccc1O

Aglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C(CCCO)=CC32C(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.46
AlogP: 3.31 Num_rotatable_bonds: 14
MolWt: 897.97 Num_heavy_atoms: 65
TPSA: 282.86 NumAromaticRings: 3

Unique Aglycone
AD48529
Formula: C42H45O8N3

Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C3C(C4(c5ccccc5O)CCCCC4)C(CCCO)=CC32C(=O)O)ccc1O
HBA: 11 RingCount: 7
HBD: 6 FractionCSP3: 0.38
AlogP: 6.51 Num_rotatable_bonds: 11
MolWt: 719.84 Num_heavy_atoms: 53
TPSA: 183.48 NumAromaticRings: 3

Sugarmoiety
SD00999

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