Glycoside
...
GD128244

Name:
6-{[10-(acetyloxy)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C59H94O30

Smiles:
CC(=O)OC1C(OC2OCC(O)C(O)C2O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(OC6OC(CO)C(O)C6O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Aglycone:
CC(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 10
HBD: 17 FractionCSP3: 0.93
AlogP: -5.27 Num_rotatable_bonds: 15
MolWt: 1283.37 Num_heavy_atoms: 89
TPSA: 479.58 NumAromaticRings: 0

Unique Aglycone
AD51949
Formula: C32H52O7

Smiles:
CC(=O)OC1C(O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.91
AlogP: 3.6 Num_rotatable_bonds: 2
MolWt: 548.76 Num_heavy_atoms: 39
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD06907

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C1O.OC1COC(O)C(O)C1O