Glycoside
...
GD136721

Name:
None

Formula:
C65H76O13N4

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#CCC3CC4(CCCC4)NC4C3CC3CC4C1(CC3C1CN=C(O)C13CCCCC3)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOCC#CCC3CC4(CCCC4)NC4C3CC3CC4C1(CC3C1CN=C(O)C13CCCCC3)O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 14
HBD: 10 FractionCSP3: 0.57
AlogP: 7.81 Num_rotatable_bonds: 10
MolWt: 1121.34 Num_heavy_atoms: 82
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
AD55269
Formula: C49H58O6N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOCC#CCC3CC4(CCCC4)NC4C3CC3CC4C1(CC3C1CN=C(O)C13CCCCC3)O2
HBA: 10 RingCount: 12
HBD: 3 FractionCSP3: 0.63
AlogP: 8.82 Num_rotatable_bonds: 3
MolWt: 799.02 Num_heavy_atoms: 59
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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