Glycoside
...
GD153207

Name:
None

Formula:
C46H51O14N3

Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C3(c4ccccc4O)CCCCC3)C(CCCO)=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4O)CCCCC3)C(CCCO)=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.43
AlogP: 2.53 Num_rotatable_bonds: 13
MolWt: 869.92 Num_heavy_atoms: 63
TPSA: 282.86 NumAromaticRings: 3

Unique Aglycone
AD60950
Formula: C40H41O8N3

Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4O)CCCCC3)C(CCCO)=CC21C(=O)O
HBA: 11 RingCount: 7
HBD: 6 FractionCSP3: 0.35
AlogP: 5.73 Num_rotatable_bonds: 10
MolWt: 691.78 Num_heavy_atoms: 51
TPSA: 183.48 NumAromaticRings: 3

Sugarmoiety
SD00999

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