Glycoside
...
GD127306

Name:
None

Formula:
C75H84O13N4

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)C8CCC7CC48)C15O2)CCC1C2(C=CC3CC2)CCCC12C(O)=NCC62

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C(=CC(C47NC4CC(CC)C8CCC7CC48)C15O2)CCC1C2(C=CC3CC2)CCCC12C(O)=NCC62.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 22
HBD: 10 FractionCSP3: 0.55
AlogP: 9.98 Num_rotatable_bonds: 9
MolWt: 1249.51 Num_heavy_atoms: 92
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
AD51549
Formula: C59H66O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C(=CC(C47NC4CC(CC)C8CCC7CC48)C15O2)CCC1C2(C=CC3CC2)CCCC12C(O)=NCC62
HBA: 10 RingCount: 19
HBD: 3 FractionCSP3: 0.59
AlogP: 11.0 Num_rotatable_bonds: 2
MolWt: 927.2 Num_heavy_atoms: 69
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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