Glycoside
...
GD127227

Name:
methyl 6-{[9-(benzoyloxy)-8,10-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-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-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate

Formula:
C55H82O21

Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(OC(=O)c6ccccc6)C5(CO)C(O)CC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(OC(=O)c2ccccc2)C1O

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 11 FractionCSP3: 0.82
AlogP: 0.21 Num_rotatable_bonds: 11
MolWt: 1079.24 Num_heavy_atoms: 76
TPSA: 330.51 NumAromaticRings: 1

Unique Aglycone
AD51516
Formula: C37H54O6

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(OC(=O)c2ccccc2)C1O
HBA: 6 RingCount: 6
HBD: 4 FractionCSP3: 0.76
AlogP: 5.92 Num_rotatable_bonds: 3
MolWt: 594.83 Num_heavy_atoms: 43
TPSA: 107.22 NumAromaticRings: 1

Sugarmoiety
SD06579

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O