Glycoside
...
GD023450

Name:
None

Formula:
C104H156O32N12

Smiles:
C[C@@H]1O[C@H](OCCOCCOCCn2cc(COc3c4cc(C(C)(C)C)cc3Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)nn3)Cc3cc(C(C)(C)C)cc(c3OCc3cn(CCOCCOCCO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)nn3)C4)nn2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)C2

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 44 RingCount: 13
HBD: 12 FractionCSP3: 0.69
AlogP: 3.74 Num_rotatable_bonds: 52
MolWt: 2086.44 Num_heavy_atoms: 148
TPSA: 550.2 NumAromaticRings: 8

Unique Aglycone
AD12755
Formula: C80H116O16N12

Smiles:
CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO)nn3)c(c1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOCCOCCO)nn1)C2
HBA: 28 RingCount: 9
HBD: 4 FractionCSP3: 0.6
AlogP: 8.34 Num_rotatable_bonds: 44
MolWt: 1501.88 Num_heavy_atoms: 108
TPSA: 314.52 NumAromaticRings: 8

Sugarmoiety
SD01587

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O