Glycoside
...
GD013300

Name:
None

Formula:
C73H84O26N6

Smiles:
CCCC(=O)OC[C@@H]1O[C@H](OC(COCc2cn([C@@H]3c4cc5c(cc4[C@H](c4cc(OC)c(O)c(OC)c4)[C@@H]4C(=O)OC[C@H]43)OCO5)nn2)COCc2cn([C@@H]3c4cc5c(cc4[C@H](c4cc(OC)c(O)c(OC)c4)[C@@H]4C(=O)OC[C@H]43)OCO5)nn2)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC

Aglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC.COc1cc(C2c3cc4c(cc3C(n3cc(COCC(O)COCc5cn(C6c7cc8c(cc7C(c7cc(OC)c(O)c(OC)c7)C7C(=O)OCC76)OCO8)nn5)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 32 RingCount: 13
HBD: 2 FractionCSP3: 0.53
AlogP: 7.14 Num_rotatable_bonds: 31
MolWt: 1461.49 Num_heavy_atoms: 105
TPSA: 370.44 NumAromaticRings: 6

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01168
Formula: C5H10O2

Smiles:
CCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.96 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD09942
Formula: C51H50O17N6

Smiles:
COc1cc(C2c3cc4c(cc3C(n3cc(COCC(O)COCc5cn(C6c7cc8c(cc7C(c7cc(OC)c(O)c(OC)c7)C7C(=O)OCC76)OCO8)nn5)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O
HBA: 23 RingCount: 12
HBD: 3 FractionCSP3: 0.41
AlogP: 3.92 Num_rotatable_bonds: 16
MolWt: 1018.99 Num_heavy_atoms: 74
TPSA: 267.01 NumAromaticRings: 6

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1