Glycoside
...
GD027902

Name:
None

Formula:
C69H89O22N3

Smiles:
CC1(C)[C@H](O[C@@H]2O[C@H](C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)N[C@H](Cc6ccc(O)cc6)C(=O)O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

Aglycone:
CC1(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.O=CNC(Cc1ccc(O)cc1)C(=O)O.O=CNC(Cc1ccc(O)cc1)C(=O)O

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 10
HBD: 14 FractionCSP3: 0.61
AlogP: 3.54 Num_rotatable_bonds: 19
MolWt: 1312.47 Num_heavy_atoms: 94
TPSA: 415.03 NumAromaticRings: 3

Unique Aglycone
AD18291
Formula: C39H55O6N

Smiles:
CC1(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 7 RingCount: 6
HBD: 4 FractionCSP3: 0.72
AlogP: 6.85 Num_rotatable_bonds: 5
MolWt: 633.87 Num_heavy_atoms: 46
TPSA: 123.93 NumAromaticRings: 1
AD18292
Formula: C10H11O4N

Smiles:
O=CNC(Cc1ccc(O)cc1)C(=O)O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.2
AlogP: 0.13 Num_rotatable_bonds: 5
MolWt: 209.2 Num_heavy_atoms: 15
TPSA: 86.63 NumAromaticRings: 1

Sugarmoiety
SD00502

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O