Glycoside
...
GD114925

Name:
7-{[3-({5-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-(2-hydroxy-6-methylhept-6-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-2-one

Formula:
C58H94O25

Smiles:
C=C(C)CCCC(C)(O)C1C(=O)CC2(C)C3CCC4C(C)(CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(C)C(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C4(C)C)C3=CCC12C

Aglycone:
C=C(C)CCCC(C)(O)C1C(=O)CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 14 FractionCSP3: 0.91
AlogP: -1.94 Num_rotatable_bonds: 17
MolWt: 1191.37 Num_heavy_atoms: 83
TPSA: 392.59 NumAromaticRings: 0

Unique Aglycone
AD45366
Formula: C30H48O3

Smiles:
C=C(C)CCCC(C)(O)C1C(=O)CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.83
AlogP: 6.63 Num_rotatable_bonds: 5
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD04496

CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O