Glycoside
...
GD149109

Name:
None

Formula:
C81H88O13N4

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=CC4=CC5C6C=CC(C47NC4CC(CC)C8CCC7C(Cc7ccc(cc7)CC7CC9(C=CC3CC9)CC3(C7)C(O)=NCC63)C48)C15O2

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C=CC(C47NC4CC(CC)C8CCC7C(Cc7ccc(cc7)CC7CC9(C=CC3CC9)CC3(C7)C(O)=NCC63)C48)C15O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 28
HBD: 10 FractionCSP3: 0.51
AlogP: 10.84 Num_rotatable_bonds: 9
MolWt: 1325.61 Num_heavy_atoms: 98
TPSA: 264.85 NumAromaticRings: 7

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
AD59627
Formula: C65H70O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C=CC(C47NC4CC(CC)C8CCC7C(Cc7ccc(cc7)CC7CC9(C=CC3CC9)CC3(C7)C(O)=NCC63)C48)C15O2
HBA: 10 RingCount: 25
HBD: 3 FractionCSP3: 0.54
AlogP: 11.86 Num_rotatable_bonds: 2
MolWt: 1003.3 Num_heavy_atoms: 75
TPSA: 123.24 NumAromaticRings: 5

Sugarmoiety
SD04360

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