Glycoside
...
GD133848

Name:
None

Formula:
C70H72O13N4

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=C5CCCNC6C5=C(CC4)C4C5C(=CC6C14O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC52

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOC4C=C5CCCNC6C5=C(CC4)C4C5C(=CC6C14O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC52.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 21
HBD: 10 FractionCSP3: 0.49
AlogP: 8.08 Num_rotatable_bonds: 8
MolWt: 1177.36 Num_heavy_atoms: 87
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
AD54157
Formula: C54H54O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOC4C=C5CCCNC6C5=C(CC4)C4C5C(=CC6C14O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC52
HBA: 10 RingCount: 19
HBD: 3 FractionCSP3: 0.52
AlogP: 9.09 Num_rotatable_bonds: 1
MolWt: 855.05 Num_heavy_atoms: 64
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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