Glycoside
...
GD140382

Name:
8a-{[(3-{[4-(acetyloxy)-5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3-hydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]carbonyl}-2,8-dihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Formula:
C59H92O30

Smiles:
CC(=O)OC1C(O)C(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(CO)(C(=O)O)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)OC(C)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(O)C(OC2C(O)OCC(O)C2O)OC(C)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 10
HBD: 16 FractionCSP3: 0.92
AlogP: -4.72 Num_rotatable_bonds: 15
MolWt: 1281.36 Num_heavy_atoms: 89
TPSA: 476.42 NumAromaticRings: 0

Unique Aglycone
AD53357
Formula: C30H46O8

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(C(=O)O)C5CCC43C)C2C1
HBA: 8 RingCount: 5
HBD: 6 FractionCSP3: 0.87
AlogP: 3.21 Num_rotatable_bonds: 3
MolWt: 534.69 Num_heavy_atoms: 38
TPSA: 155.52 NumAromaticRings: 0

Sugarmoiety
SD02761

CC(=O)OC1C(O)C(OC2C(O)OCC(O)C2O)OC(C)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(O)C(O)C1O