Glycoside
...
GD124559

Name:
2-[(2-{[4a-(hydroxymethyl)-2,2,5b,5c,8,8,11a-heptamethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,4H,4aH,4bH,5aH,5bH,5cH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13bH-piceno[5,6-b]oxiren-9-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C58H94O27

Smiles:
CC1(C)CC(OC2OC(CO)C(O)C(O)C2O)C2(CO)C(C1)C1=CCC3C4(C)CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C1OC12

Aglycone:
CC1(C)CC(O)C2(CO)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C1OC12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 11
HBD: 16 FractionCSP3: 0.97
AlogP: -4.5 Num_rotatable_bonds: 14
MolWt: 1223.36 Num_heavy_atoms: 85
TPSA: 428.51 NumAromaticRings: 0

Unique Aglycone
AD50328
Formula: C30H48O4

Smiles:
CC1(C)CC(O)C2(CO)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C1OC12
HBA: 4 RingCount: 6
HBD: 3 FractionCSP3: 0.93
AlogP: 5.1 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 73.22 NumAromaticRings: 0

Sugarmoiety
SD06337

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O