Glycoside
...
GD156910

Name:
None

Formula:
C68H80O13N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOC(C(O)(Cc4ccc(O)c5ccc(O)cc45)C(O)C(O)C(O)CO)C#CCC4CC5(CCCC5)NC5C4CC4CC5C1(CC4C1CN=C(O)C14CCCC(CCC3)C4)O2

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC#CCC4CC5(CCCC5)NC5C4CC4CC5C1(CC4C1CN=C(O)C14CCCC(CCC3)C4)O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 16
HBD: 10 FractionCSP3: 0.59
AlogP: 8.37 Num_rotatable_bonds: 8
MolWt: 1161.4 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
AD62085
Formula: C52H62O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC#CCC4CC5(CCCC5)NC5C4CC4CC5C1(CC4C1CN=C(O)C14CCCC(CCC3)C4)O2
HBA: 10 RingCount: 14
HBD: 3 FractionCSP3: 0.65
AlogP: 9.39 Num_rotatable_bonds: 1
MolWt: 839.09 Num_heavy_atoms: 62
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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