Glycoside
...
GD139832

Name:
None

Formula:
C68H70O13N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOC4(C(O)(Cc5ccc(O)c6ccc(O)cc56)C(O)C(O)C(O)CO)C=CC5=C(CC4)C4C6C(=CC(C5NC)C14O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC62

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOC4C=CC5=C(CC4)C4C6C(=CC(C5NC)C14O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC62.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)O

Other Identifiers

Properties
HBA: 17 RingCount: 20
HBD: 10 FractionCSP3: 0.47
AlogP: 7.54 Num_rotatable_bonds: 9
MolWt: 1151.32 Num_heavy_atoms: 85
TPSA: 264.85 NumAromaticRings: 6

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD56394
Formula: C52H52O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOC4C=CC5=C(CC4)C4C6C(=CC(C5NC)C14O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC62
HBA: 10 RingCount: 18
HBD: 3 FractionCSP3: 0.5
AlogP: 8.56 Num_rotatable_bonds: 2
MolWt: 829.01 Num_heavy_atoms: 62
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

OCC(O)C(O)C(O)C(O)(O)O