Glycoside
...
GD142777

Name:
None

Formula:
C69H78O13N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC(C(O)(Cc3ccc(O)c4ccc(O)cc34)C(O)C(O)C(O)CO)C#CCC3CCNC4C3CC35C#CC6(CCCCC6)C6CCC7(CC6)C(O)=NCC7C3CC1(O2)C4C5

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOCC#CCC3CCNC4C3CC35C#CC6(CCCCC6)C6CCC7(CC6)C(O)=NCC7C3CC1(O2)C4C5.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: 0.57
AlogP: 8.06 Num_rotatable_bonds: 9
MolWt: 1171.4 Num_heavy_atoms: 86
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
AD57452
Formula: C53H60O6N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOCC#CCC3CCNC4C3CC35C#CC6(CCCCC6)C6CCC7(CC6)C(O)=NCC7C3CC1(O2)C4C5
HBA: 10 RingCount: 14
HBD: 3 FractionCSP3: 0.62
AlogP: 9.07 Num_rotatable_bonds: 2
MolWt: 849.08 Num_heavy_atoms: 63
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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