Glycoside
...
GD002455

Name:
None

Formula:
C70H98O22N4

Smiles:
CC1(C)[C@H](O[C@@H]2O[C@H](C(=O)N[C@H](CCCCNC(=O)OCc3ccccc3)C(=O)O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)N[C@H](CCCCNC(=O)OCc3ccccc3)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)O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.O=CNC(CCCCNC(=O)OCc1ccccc1)C(=O)O.O=CNC(CCCCNC(=O)OCc1ccccc1)C(=O)O

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

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 12 FractionCSP3: 0.69
AlogP: 5.41 Num_rotatable_bonds: 25
MolWt: 1347.56 Num_heavy_atoms: 96
TPSA: 401.9 NumAromaticRings: 2

Unique Aglycone
AD02343
Formula: C30H46O4

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0
AD02344
Formula: C15H20O5N2

Smiles:
O=CNC(CCCCNC(=O)OCc1ccccc1)C(=O)O
HBA: 7 RingCount: 1
HBD: 3 FractionCSP3: 0.4
AlogP: 1.28 Num_rotatable_bonds: 10
MolWt: 308.33 Num_heavy_atoms: 22
TPSA: 104.73 NumAromaticRings: 1

Sugarmoiety
SD00502

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