Glycoside
...
GD135289

Name:
None

Formula:
C88H94O13N4

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(cc7Cc7ccccc7)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(cc7Cc7ccccc7)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: 29
HBD: 10 FractionCSP3: 0.48
AlogP: 12.43 Num_rotatable_bonds: 11
MolWt: 1415.74 Num_heavy_atoms: 105
TPSA: 264.85 NumAromaticRings: 8

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
AD54709
Formula: C72H76O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C=CC(C47NC4CC(CC)C8CCC7C(Cc7ccc(cc7Cc7ccccc7)CC7CC9(C=CC3CC9)CC3(C7)C(O)=NCC63)C48)C15O2
HBA: 10 RingCount: 26
HBD: 3 FractionCSP3: 0.5
AlogP: 13.45 Num_rotatable_bonds: 4
MolWt: 1093.42 Num_heavy_atoms: 82
TPSA: 123.24 NumAromaticRings: 6

Sugarmoiety
SD04360

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