Glycoside
...
GD009158

Name:
None

Formula:
C63H75O21N5

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCn1cc(CCCC(=O)O[C@H](C(=O)O[C@@H]2C[C@]3(O)[C@H](OC(=O)c4ccccc4)[C@H]4[C@]5(OC(C)=O)CO[C@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)[C@H](NC(=O)c2ccccc2)c2ccccc2)nn1

Aglycone:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCCc3cn(CCO)nn3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 7 FractionCSP3: 0.52
AlogP: 1.86 Num_rotatable_bonds: 21
MolWt: 1238.31 Num_heavy_atoms: 89
TPSA: 366.32 NumAromaticRings: 4

Unique Aglycone
AD07210
Formula: C55H62O16N4

Smiles:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCCc3cn(CCO)nn3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
HBA: 20 RingCount: 8
HBD: 4 FractionCSP3: 0.47
AlogP: 3.89 Num_rotatable_bonds: 17
MolWt: 1035.11 Num_heavy_atoms: 75
TPSA: 278.3 NumAromaticRings: 4

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O