Glycoside
...
GD032648

Name:
None

Formula:
C52H71O21N3

Smiles:
CC(=O)OC[C@@H]1O[C@@H](OCc2cn([C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]5[C@H]4CC[C@]4(C)[C@H](C6=CC(=O)OC6)CC[C@@]54O)C3)nn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC12CCC(n3cc(CO)nn3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O.COC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 1 FractionCSP3: 0.77
AlogP: 3.21 Num_rotatable_bonds: 16
MolWt: 1074.14 Num_heavy_atoms: 76
TPSA: 298.26 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD17763
Formula: C26H37O4N3

Smiles:
CC12CCC(n3cc(CO)nn3)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 7 RingCount: 6
HBD: 2 FractionCSP3: 0.81
AlogP: 3.57 Num_rotatable_bonds: 3
MolWt: 455.6 Num_heavy_atoms: 33
TPSA: 97.47 NumAromaticRings: 1

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O