Glycoside
...
GD118519

Name:
1-acetyl-7-({4,6-dihydroxy-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)peroxy]oxan-2-yl}peroxy)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl 4-methyl-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)peroxy]pentanoate

Formula:
C49H78O27

Smiles:
CC(=O)C1C(OC(=O)CCC(C)COOC2OC(O)C(O)C(O)C2O)CC2C3CC=C4CC(OOC5OC(O)C(OOC6OC(C)C(O)C(O)C6O)C(O)C5OOC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:
CC(=O)C1C(OC(=O)CCC(C)COO)CC2C3CC=C4CC(OO)CCC4(C)C3CCC21C

Sugarmoiety:
CC1OC(OOC2C(O)OC(O)C(OOC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: -2.56 Num_rotatable_bonds: 18
MolWt: 1099.14 Num_heavy_atoms: 76
TPSA: 396.89 NumAromaticRings: 0

Unique Aglycone
AD47404
Formula: C27H42O7

Smiles:
CC(=O)C1C(OC(=O)CCC(C)COO)CC2C3CC=C4CC(OO)CCC4(C)C3CCC21C
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.85
AlogP: 5.44 Num_rotatable_bonds: 8
MolWt: 478.63 Num_heavy_atoms: 34
TPSA: 102.29 NumAromaticRings: 0

Sugarmoiety
SD05253

CC1OC(OOC2C(O)OC(O)C(OOC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O